(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine

C10H12ClNO — CID 78961328

IUPAC(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(Cl)c2c1OCC[C@@H]2N
InChIInChI=1S/C10H12ClNO/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3,8H,4-5,12H2,1H3/t8-/m0/s1
InChIKeyNUBNBRCQJMDNIV-QMMMGPOBSA-N
MW197.66 g/mol
LogP2.43
Rot. Bonds

About (4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine

(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 78961328) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is (4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID78961328
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(Cl)c2c1OCC[C@@H]2N
InChIInChI=1S/C10H12ClNO/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3,8H,4-5,12H2,1H3/t8-/m0/s1
InChIKeyNUBNBRCQJMDNIV-QMMMGPOBSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-5-chloro-8-methyl-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

2-Chloro-6-phenoxybenzylamine
CID 2777206
(2-Chloro-6-methoxyphenyl)methanamine
CID 28965599
3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride
CID 44630710
(4-Chloro-2-methoxyphenyl)methanamine
CID 50989198
(S)-2-(4-chloro-2,6-dimethylphenoxy)-1-phenylethanamine
CID 11150055
5-Amino-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride
CID 37754
7-Chloro-3,4-dihydro-2H-1-benzopyran-3-amine--hydrogen chloride (1/1)
CID 3041602
7-Chloro-3,4-dihydro-2H-1-benzopyran-3-amine
CID 3041603
(R)-6-Chlorochroman-4-amine
CID 42220764
6-Chlorochroman-4-amine hydrochloride
CID 52988847
(4R)-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride
CID 53249223
(4S)-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride
CID 56973613

Frequently Asked Questions

What is the IUPAC name of (4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine (CID 78961328) is (4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(Cl)c2c1OCC[C@@H]2N.
What is the InChIKey of (4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NUBNBRCQJMDNIV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3,8H,4-5,12H2,1H3/t8-/m0/s1.
What are the key properties of (4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 197.66 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 78961328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).