(4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine

C18H20ClNO — CID 104945315

IUPAC(4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine
SMILESCCC1(Cc2ccccc2)C[C@H](N)c2cc(Cl)ccc2O1
InChIInChI=1S/C18H20ClNO/c1-2-18(11-13-6-4-3-5-7-13)12-16(20)15-10-14(19)8-9-17(15)21-18/h3-10,16H,2,11-12,20H2,1H3/t16-,18?/m0/s1
InChIKeyYEDPKQLXQAAZAC-ATNAJCNCSA-N
MW301.82 g/mol
LogP4.51
Rot. Bonds3

About (4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine

(4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine (PubChem CID 104945315) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is (4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine
PubChem CID104945315
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name(4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine
SMILESCCC1(Cc2ccccc2)C[C@H](N)c2cc(Cl)ccc2O1
InChIInChI=1S/C18H20ClNO/c1-2-18(11-13-6-4-3-5-7-13)12-16(20)15-10-14(19)8-9-17(15)21-18/h3-10,16H,2,11-12,20H2,1H3/t16-,18?/m0/s1
InChIKeyYEDPKQLXQAAZAC-ATNAJCNCSA-N
XLogP4.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-6-bromo-2-ethyl-3,4-dihydrochromen-4-amine
CID 114710150
6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868304
2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine
CID 68597302
6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine
CID 114709977
2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
CID 114714156
(4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104944982
6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114709077
6-chloro-2'-ethyl-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114709105
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708951
6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114709018
(4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104945286
(4R)-6-chloro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565887

Frequently Asked Questions

What is the IUPAC name of (4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of (4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine (CID 104945315) is (4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine is CCC1(Cc2ccccc2)C[C@H](N)c2cc(Cl)ccc2O1.
What is the InChIKey of (4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine?
The InChIKey is YEDPKQLXQAAZAC-ATNAJCNCSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-2-18(11-13-6-4-3-5-7-13)12-16(20)15-10-14(19)8-9-17(15)21-18/h3-10,16H,2,11-12,20H2,1H3/t16-,18?/m0/s1.
What are the key properties of (4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine?
(4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine has a molecular weight of 301.82 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 104945315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).