1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine

C15H23NO2 — CID 43317290

IUPAC1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCC2CCCC2)cc1OC
InChIInChI=1S/C15H23NO2/c1-17-14-8-7-13(9-15(14)18-2)11-16-10-12-5-3-4-6-12/h7-9,12,16H,3-6,10-11H2,1-2H3
InChIKeyUFWDERQNEOOGTB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.98
Rot. Bonds6

About 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine

1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine (PubChem CID 43317290) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
PubChem CID43317290
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCC2CCCC2)cc1OC
InChIInChI=1S/C15H23NO2/c1-17-14-8-7-13(9-15(14)18-2)11-16-10-12-5-3-4-6-12/h7-9,12,16H,3-6,10-11H2,1-2H3
InChIKeyUFWDERQNEOOGTB-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
1-cyclohexyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804211
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855833
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64929394
2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 60733205
2-methoxy-5-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 55013429
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 61019678
3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115639482
1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43317257
5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727440
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412254

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine (CID 43317290) is 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine is COc1ccc(CNCC2CCCC2)cc1OC.
What is the InChIKey of 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine?
The InChIKey is UFWDERQNEOOGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-14-8-7-13(9-15(14)18-2)11-16-10-12-5-3-4-6-12/h7-9,12,16H,3-6,10-11H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine?
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 43317290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).