N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine

C19H23NO — CID 105409957

IUPACN-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C19H23NO/c1-3-20-13-15-7-6-14(2)18(11-15)16-8-9-19-17(12-16)5-4-10-21-19/h6-9,11-12,20H,3-5,10,13H2,1-2H3
InChIKeyZHINAUCSWULTBM-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.10
Rot. Bonds4

About N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine

N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine (PubChem CID 105409957) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine
PubChem CID105409957
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C19H23NO/c1-3-20-13-15-7-6-14(2)18(11-15)16-8-9-19-17(12-16)5-4-10-21-19/h6-9,11-12,20H,3-5,10,13H2,1-2H3
InChIKeyZHINAUCSWULTBM-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine
CID 105409478
N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine
CID 61032565
1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine
CID 115258559
N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine
CID 106888721
6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
CID 65306061
methyl 3-(3,4-dihydro-2H-chromen-6-ylmethylamino)propanoate
CID 115232397
N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408285
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine
CID 63427980
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
2-(3,4-dihydro-2H-chromen-6-ylmethylamino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95123738
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine (CID 105409957) is N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine is CCNCc1ccc(C)c(-c2ccc3c(c2)CCCO3)c1.
What is the InChIKey of N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine?
The InChIKey is ZHINAUCSWULTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-20-13-15-7-6-14(2)18(11-15)16-8-9-19-17(12-16)5-4-10-21-19/h6-9,11-12,20H,3-5,10,13H2,1-2H3.
What are the key properties of N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine?
N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 105409957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).