N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine

C15H22N2O — CID 82582832

IUPACN-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCOc1ccc(NC2CCCC2)c2c1CCNC2
InChIInChI=1S/C15H22N2O/c1-18-15-7-6-14(17-11-4-2-3-5-11)13-10-16-9-8-12(13)15/h6-7,11,16-17H,2-5,8-10H2,1H3
InChIKeyJIAPIZYXRRTNHQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.70
Rot. Bonds3

About N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine

N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine (PubChem CID 82582832) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine
PubChem CID82582832
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCOc1ccc(NC2CCCC2)c2c1CCNC2
InChIInChI=1S/C15H22N2O/c1-18-15-7-6-14(17-11-4-2-3-5-11)13-10-16-9-8-12(13)15/h6-7,11,16-17H,2-5,8-10H2,1H3
InChIKeyJIAPIZYXRRTNHQ-UHFFFAOYSA-N
XLogP2.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-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

ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416816
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82583004
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
N-cyclohexyl-5-fluoro-2-methoxyaniline
CID 82539597
5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 82583404
N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 90237422
5-methoxy-8-(1-methylpyridin-1-ium-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 69448462
4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 84716986
3-methoxy-4-(piperidin-3-ylamino)benzonitrile
CID 104848330
8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 82582988
N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82582986

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine?
The IUPAC name of N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine (CID 82582832) is N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine?
The canonical SMILES for N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine is COc1ccc(NC2CCCC2)c2c1CCNC2.
What is the InChIKey of N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine?
The InChIKey is JIAPIZYXRRTNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-18-15-7-6-14(17-11-4-2-3-5-11)13-10-16-9-8-12(13)15/h6-7,11,16-17H,2-5,8-10H2,1H3.
What are the key properties of N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine?
N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine has a molecular weight of 246.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 82582832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).