N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine

C17H27NO — CID 81034455

IUPACN-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1Cc1ccccc1OC
InChIInChI=1S/C17H27NO/c1-3-11-18-13-16-9-6-8-14(16)12-15-7-4-5-10-17(15)19-2/h4-5,7,10,14,16,18H,3,6,8-9,11-13H2,1-2H3
InChIKeyJGOPWLJOBDEIFC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.65
Rot. Bonds7

About N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine

N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine (PubChem CID 81034455) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
PubChem CID81034455
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1Cc1ccccc1OC
InChIInChI=1S/C17H27NO/c1-3-11-18-13-16-9-6-8-14(16)12-15-7-4-5-10-17(15)19-2/h4-5,7,10,14,16,18H,3,6,8-9,11-13H2,1-2H3
InChIKeyJGOPWLJOBDEIFC-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028833
N-[[2-[(2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81018226
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81026863
N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81026010
N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034896
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81018146
N-[[2-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017307
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 102621837
N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028870
N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81026825
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033186
N-[[2-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027411

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine (CID 81034455) is N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine is CCCNCC1CCCC1Cc1ccccc1OC.
What is the InChIKey of N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine?
The InChIKey is JGOPWLJOBDEIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-11-18-13-16-9-6-8-14(16)12-15-7-4-5-10-17(15)19-2/h4-5,7,10,14,16,18H,3,6,8-9,11-13H2,1-2H3.
What are the key properties of N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine?
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 81034455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).