2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine

C16H24N2O — CID 104557485

IUPAC2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine
SMILESCOC1CCCC1NCc1cccc2c1CCNC2
InChIInChI=1S/C16H24N2O/c1-19-16-7-3-6-15(16)18-11-13-5-2-4-12-10-17-9-8-14(12)13/h2,4-5,15-18H,3,6-11H2,1H3
InChIKeyPAHIIFMUZLQEAW-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.99
Rot. Bonds4

About 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine

2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine (PubChem CID 104557485) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine
PubChem CID104557485
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine
SMILESCOC1CCCC1NCc1cccc2c1CCNC2
InChIInChI=1S/C16H24N2O/c1-19-16-7-3-6-15(16)18-11-13-5-2-4-12-10-17-9-8-14(12)13/h2,4-5,15-18H,3,6-11H2,1H3
InChIKeyPAHIIFMUZLQEAW-UHFFFAOYSA-N
XLogP1.99
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine
CID 80649519
2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol
CID 112554340
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile
CID 107114541
N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104851
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
N-(1H-indol-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 55062011
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
3-chloro-2-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 78960343
2-methoxy-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 79032067
N-(1-benzofuran-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 80701565
N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentanamine
CID 104557605

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine (CID 104557485) is 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine is COC1CCCC1NCc1cccc2c1CCNC2.
What is the InChIKey of 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine?
The InChIKey is PAHIIFMUZLQEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-16-7-3-6-15(16)18-11-13-5-2-4-12-10-17-9-8-14(12)13/h2,4-5,15-18H,3,6-11H2,1H3.
What are the key properties of 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine?
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 104557485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).