4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline

C26H37NO2 — CID 134526383

IUPAC4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline
SMILESCCc1c(C)c(-c2ccc3c(c2)CCCO3)c(C(C)OC(C)(C)C)c(C)c1NC
InChIInChI=1S/C26H37NO2/c1-9-21-16(2)24(20-12-13-22-19(15-20)11-10-14-28-22)23(17(3)25(21)27-8)18(4)29-26(5,6)7/h12-13,15,18,27H,9-11,14H2,1-8H3
InChIKeyHZNNFHGYWCAZGV-UHFFFAOYSA-N
MW395.59 g/mol
LogP6.78
Rot. Bonds5

About 4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline

4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline (PubChem CID 134526383) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline
PubChem CID134526383
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Name4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline
SMILESCCc1c(C)c(-c2ccc3c(c2)CCCO3)c(C(C)OC(C)(C)C)c(C)c1NC
InChIInChI=1S/C26H37NO2/c1-9-21-16(2)24(20-12-13-22-19(15-20)11-10-14-28-22)23(17(3)25(21)27-8)18(4)29-26(5,6)7/h12-13,15,18,27H,9-11,14H2,1-8H3
InChIKeyHZNNFHGYWCAZGV-UHFFFAOYSA-N
XLogP6.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-2H-chromen-6-yl)-N-hexylsulfanyl-2,5-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 155373289
[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate
CID 144676719
2-cyano-N-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]benzenesulfinamide
CID 155373252
2-[2-(3,4-dihydro-2H-chromen-6-yl)-3,6-dimethyl-5-(propanoylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 90377449
2-[5-acetamido-2-(3,4-dihydro-2H-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 90380380
2-[5-[(3-chlorophenyl)methylsulfonylamino]-2-(3,4-dihydro-2H-chromen-6-yl)-3,4,6-trimethylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 90380298
2-[2-(3,4-dihydro-2H-chromen-6-yl)-5-(hexylperoxyamino)-3,6-dimethylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 90377444
methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 59578462
methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 90377338
methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-1,7-dimethyl-3,4-dihydro-2H-quinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 134526417
ethyl 2-[4-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-5-pyrimidin-5-ylthiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 90096342
2-[5-[(2-chlorobenzoyl)amino]-2-(3,4-dihydro-2H-chromen-6-yl)-3,6-dimethylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 90380324

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline (CID 134526383) is 4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline is CCc1c(C)c(-c2ccc3c(c2)CCCO3)c(C(C)OC(C)(C)C)c(C)c1NC.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline?
The InChIKey is HZNNFHGYWCAZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2/c1-9-21-16(2)24(20-12-13-22-19(15-20)11-10-14-28-22)23(17(3)25(21)27-8)18(4)29-26(5,6)7/h12-13,15,18,27H,9-11,14H2,1-8H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline?
4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline has a molecular weight of 395.59 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-6-yl)-2-ethyl-N,3,6-trimethyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]aniline is sourced from PubChem (CID 134526383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).