N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine

C17H27NO — CID 98017163

IUPACN-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine
SMILESCOc1cc(C)c(CCCNC2CCCC2)cc1C
InChIInChI=1S/C17H27NO/c1-13-12-17(19-3)14(2)11-15(13)7-6-10-18-16-8-4-5-9-16/h11-12,16,18H,4-10H2,1-3H3
InChIKeyNQTVHLLGWZBOBB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.78
Rot. Bonds6

About N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine

N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine (PubChem CID 98017163) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine
PubChem CID98017163
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine
SMILESCOc1cc(C)c(CCCNC2CCCC2)cc1C
InChIInChI=1S/C17H27NO/c1-13-12-17(19-3)14(2)11-15(13)7-6-10-18-16-8-4-5-9-16/h11-12,16,18H,4-10H2,1-3H3
InChIKeyNQTVHLLGWZBOBB-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.78
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-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine
CID 98017018
N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine
CID 82493922
N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine
CID 65434549
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine
CID 96674047
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine
CID 82298659
N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine
CID 45097626
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
N-cyclopentyl-2-(2,5-dimethoxy-4-methylphenyl)acetamide
CID 110769695
N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
CID 62551613
N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine
CID 98017013
(2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine
CID 30982048

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine?
The IUPAC name of N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine (CID 98017163) is N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine is COc1cc(C)c(CCCNC2CCCC2)cc1C.
What is the InChIKey of N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine?
The InChIKey is NQTVHLLGWZBOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-12-17(19-3)14(2)11-15(13)7-6-10-18-16-8-4-5-9-16/h11-12,16,18H,4-10H2,1-3H3.
What are the key properties of N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine?
N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine has a molecular weight of 261.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine is sourced from PubChem (CID 98017163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).