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

C18H21NO — CID 104945853

IUPAC(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1ccc(C2C[C@H](N)c3ccccc3O2)cc1
InChIInChI=1S/C18H21NO/c1-12(2)13-7-9-14(10-8-13)18-11-16(19)15-5-3-4-6-17(15)20-18/h3-10,12,16,18H,11,19H2,1-2H3/t16-,18?/m0/s1
InChIKeyMVKIKNYMRXSNSS-ATNAJCNCSA-N
MW267.37 g/mol
LogP4.33
Rot. Bonds2

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

(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945853) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945853
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1ccc(C2C[C@H](N)c3ccccc3O2)cc1
InChIInChI=1S/C18H21NO/c1-12(2)13-7-9-14(10-8-13)18-11-16(19)15-5-3-4-6-17(15)20-18/h3-10,12,16,18H,11,19H2,1-2H3/t16-,18?/m0/s1
InChIKeyMVKIKNYMRXSNSS-ATNAJCNCSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-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

6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708524
(4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945818
2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709442
2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709530
(4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946217
(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
(4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946152
6-chloro-2-[4-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709061
(4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103571287
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

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104945853) is (4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine is CC(C)c1ccc(C2C[C@H](N)c3ccccc3O2)cc1.
What is the InChIKey of (4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MVKIKNYMRXSNSS-ATNAJCNCSA-N. The full InChI is InChI=1S/C18H21NO/c1-12(2)13-7-9-14(10-8-13)18-11-16(19)15-5-3-4-6-17(15)20-18/h3-10,12,16,18H,11,19H2,1-2H3/t16-,18?/m0/s1.
What are the key properties of (4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 267.37 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).