N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine

C14H21NO2 — CID 792687

IUPACN-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
SMILESCOc1ccc(OC)c(CNC2CCCC2)c1
InChIInChI=1S/C14H21NO2/c1-16-13-7-8-14(17-2)11(9-13)10-15-12-5-3-4-6-12/h7-9,12,15H,3-6,10H2,1-2H3
InChIKeyPPACRXFSJKTUSD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.74
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine

N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine (PubChem CID 792687) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
PubChem CID792687
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
SMILESCOc1ccc(OC)c(CNC2CCCC2)c1
InChIInChI=1S/C14H21NO2/c1-16-13-7-8-14(17-2)11(9-13)10-15-12-5-3-4-6-12/h7-9,12,15H,3-6,10H2,1-2H3
InChIKeyPPACRXFSJKTUSD-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]thian-4-amine
CID 115578053
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43244054
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
CID 82292670
N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718169

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine (CID 792687) is N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine is COc1ccc(OC)c(CNC2CCCC2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine?
The InChIKey is PPACRXFSJKTUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-13-7-8-14(17-2)11(9-13)10-15-12-5-3-4-6-12/h7-9,12,15H,3-6,10H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine?
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine has a molecular weight of 235.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 792687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).