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

C10H13NO — CID 68776309

IUPAC(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1COc2ccccc2[C@H]1N
InChIInChI=1S/C10H13NO/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7,10H,6,11H2,1H3/t7?,10-/m0/s1
InChIKeyZZNNYMMLWMBZOR-MHPPCMCBSA-N
MW163.22 g/mol
LogP1.71
Rot. Bonds

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

(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 68776309) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID68776309
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1COc2ccccc2[C@H]1N
InChIInChI=1S/C10H13NO/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7,10H,6,11H2,1H3/t7?,10-/m0/s1
InChIKeyZZNNYMMLWMBZOR-MHPPCMCBSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-3-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

3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 79189276
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 174973153
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
5-methyl-2,3,4,5-tetrahydro-1-benzoxepin-3-amine
CID 142226246
3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43184438
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 64814696
3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43264901
3-propan-2-ylsulfonyl-3,4-dihydro-2H-chromen-4-amine
CID 64676596
3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 60725605
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370

Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine (CID 68776309) is (4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine is CC1COc2ccccc2[C@H]1N.
What is the InChIKey of (4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZZNNYMMLWMBZOR-MHPPCMCBSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7,10H,6,11H2,1H3/t7?,10-/m0/s1.
What are the key properties of (4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 163.22 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 68776309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).