N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine

C16H25NO — CID 65415595

IUPACN-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)C1CCC(C)C1
InChIInChI=1S/C16H25NO/c1-4-17-16(14-9-8-12(2)10-14)13-6-5-7-15(11-13)18-3/h5-7,11-12,14,16-17H,4,8-10H2,1-3H3
InChIKeyVWZJEKQGRXORTE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.78
Rot. Bonds5

About N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine

N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine (PubChem CID 65415595) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
PubChem CID65415595
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)C1CCC(C)C1
InChIInChI=1S/C16H25NO/c1-4-17-16(14-9-8-12(2)10-14)13-6-5-7-15(11-13)18-3/h5-7,11-12,14,16-17H,4,8-10H2,1-3H3
InChIKeyVWZJEKQGRXORTE-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
CID 116544556
N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65412962
[(3-methoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105191732
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988039
N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65414596
N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544173
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine
CID 105022208
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
[(3-methoxyphenyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232266

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine (CID 65415595) is N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine is CCNC(c1cccc(OC)c1)C1CCC(C)C1.
What is the InChIKey of N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
The InChIKey is VWZJEKQGRXORTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-17-16(14-9-8-12(2)10-14)13-6-5-7-15(11-13)18-3/h5-7,11-12,14,16-17H,4,8-10H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 65415595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).