N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine

C15H21NO2 — CID 57001121

IUPACN-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1CC(NC1CCCC1)CO2
InChIInChI=1S/C15H21NO2/c1-17-14-7-4-8-15-13(14)9-12(10-18-15)16-11-5-2-3-6-11/h4,7-8,11-12,16H,2-3,5-6,9-10H2,1H3
InChIKeyWVNOPXAPUOZXII-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.53
Rot. Bonds3

About N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine

N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine (PubChem CID 57001121) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine
PubChem CID57001121
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1CC(NC1CCCC1)CO2
InChIInChI=1S/C15H21NO2/c1-17-14-7-4-8-15-13(14)9-12(10-18-15)16-11-5-2-3-6-11/h4,7-8,11-12,16H,2-3,5-6,9-10H2,1H3
InChIKeyWVNOPXAPUOZXII-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-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-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]cyclohexyl]-1H-indole-5-carbonitrile
CID 11418191
[(3R)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]methanol
CID 130660382
[(3S)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]methanol
CID 71713222
(3S)-N,N-dibenzyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 18739701
(6aS)-1-methoxy-6,6a,7,8,9,11-hexahydropyrrolo[2,1-c][1,4]benzoxazepine
CID 71049810
1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione
CID 10339395
(3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine
CID 10563531
(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl 4-methylbenzenesulfonate
CID 19079037
2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione
CID 18966575
3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol
CID 85239018
N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 11845452
N-cyclopropyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83910112

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine (CID 57001121) is N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine is COc1cccc2c1CC(NC1CCCC1)CO2.
What is the InChIKey of N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is WVNOPXAPUOZXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-14-7-4-8-15-13(14)9-12(10-18-15)16-11-5-2-3-6-11/h4,7-8,11-12,16H,2-3,5-6,9-10H2,1H3.
What are the key properties of N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 247.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 57001121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).