2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine

C19H23NO — CID 104770116

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)CC2CCOc3ccccc32)cc1
InChIInChI=1S/C19H23NO/c1-2-14-7-9-15(10-8-14)18(20)13-16-11-12-21-19-6-4-3-5-17(16)19/h3-10,16,18H,2,11-13,20H2,1H3
InChIKeyAIGUNPHAVIBBDC-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.21
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine

2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine (PubChem CID 104770116) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine
PubChem CID104770116
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)CC2CCOc3ccccc32)cc1
InChIInChI=1S/C19H23NO/c1-2-14-7-9-15(10-8-14)18(20)13-16-11-12-21-19-6-4-3-5-17(16)19/h3-10,16,18H,2,11-13,20H2,1H3
InChIKeyAIGUNPHAVIBBDC-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034368
1-(3-bromo-4-chlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 104770573
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 105034323
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 105034258
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 104770463
1-(2-chloro-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034300
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105179822
1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 106695578
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107004950

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine (CID 104770116) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(N)CC2CCOc3ccccc32)cc1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine?
The InChIKey is AIGUNPHAVIBBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-14-7-9-15(10-8-14)18(20)13-16-11-12-21-19-6-4-3-5-17(16)19/h3-10,16,18H,2,11-13,20H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 104770116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).