N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine

C17H25NO — CID 55171468

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCOc1ccc(C(NC2CCCC2C)C2CC2)cc1
InChIInChI=1S/C17H25NO/c1-12-4-3-5-16(12)18-17(13-6-7-13)14-8-10-15(19-2)11-9-14/h8-13,16-18H,3-7H2,1-2H3
InChIKeyUNKORGXEOIDJRH-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.92
Rot. Bonds5

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 55171468) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID55171468
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCOc1ccc(C(NC2CCCC2C)C2CC2)cc1
InChIInChI=1S/C17H25NO/c1-12-4-3-5-16(12)18-17(13-6-7-13)14-8-10-15(19-2)11-9-14/h8-13,16-18H,3-7H2,1-2H3
InChIKeyUNKORGXEOIDJRH-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine
CID 43224358
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43763457
N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine
CID 43080624
1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 43778640
[cyclohexyl-(4-methoxyphenyl)methyl]hydrazine
CID 105190838
4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine
CID 116952347

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine (CID 55171468) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine is COc1ccc(C(NC2CCCC2C)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is UNKORGXEOIDJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-4-3-5-16(12)18-17(13-6-7-13)14-8-10-15(19-2)11-9-14/h8-13,16-18H,3-7H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 55171468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).