(4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine

C17H19NO — CID 104945818

IUPAC(4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1ccc(C2C[C@H](N)c3ccccc3O2)cc1
InChIInChI=1S/C17H19NO/c1-2-12-7-9-13(10-8-12)17-11-15(18)14-5-3-4-6-16(14)19-17/h3-10,15,17H,2,11,18H2,1H3/t15-,17?/m0/s1
InChIKeyOWAHBORBGFNNOH-MYJWUSKBSA-N
MW253.34 g/mol
LogP3.77
Rot. Bonds2

About (4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine

(4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945818) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945818
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1ccc(C2C[C@H](N)c3ccccc3O2)cc1
InChIInChI=1S/C17H19NO/c1-2-12-7-9-13(10-8-12)17-11-15(18)14-5-3-4-6-16(14)19-17/h3-10,15,17H,2,11,18H2,1H3/t15-,17?/m0/s1
InChIKeyOWAHBORBGFNNOH-MYJWUSKBSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709442
(4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945365
2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709530
(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945853
(4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103571287
(4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946217
2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709441
(4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104945921
(4R)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104946162
(4S)-2-(3-bromo-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945825
(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946116
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104945818) is (4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine is CCc1ccc(C2C[C@H](N)c3ccccc3O2)cc1.
What is the InChIKey of (4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OWAHBORBGFNNOH-MYJWUSKBSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-12-7-9-13(10-8-12)17-11-15(18)14-5-3-4-6-16(14)19-17/h3-10,15,17H,2,11,18H2,1H3/t15-,17?/m0/s1.
What are the key properties of (4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 253.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).