2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine

C18H29NO — CID 63462119

IUPAC2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine
SMILESCCCCCOc1ccc(CNC2CCCC2C)cc1
InChIInChI=1S/C18H29NO/c1-3-4-5-13-20-17-11-9-16(10-12-17)14-19-18-8-6-7-15(18)2/h9-12,15,18-19H,3-8,13-14H2,1-2H3
InChIKeyLMNLHFOKNWEPBL-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.53
Rot. Bonds8

About 2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine

2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine (PubChem CID 63462119) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine
PubChem CID63462119
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine
SMILESCCCCCOc1ccc(CNC2CCCC2C)cc1
InChIInChI=1S/C18H29NO/c1-3-4-5-13-20-17-11-9-16(10-12-17)14-19-18-8-6-7-15(18)2/h9-12,15,18-19H,3-8,13-14H2,1-2H3
InChIKeyLMNLHFOKNWEPBL-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 63277985
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
[2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700395
2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
CID 55199783
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43434809
N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994455
N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55194302
3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
CID 43317434
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
N-[(4-butoxyphenyl)methyl]oxan-3-amine
CID 63360097
(1R)-1-cyclopentyl-N-[(4-pentoxyphenyl)methyl]ethanamine
CID 81389966

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine (CID 63462119) is 2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine is CCCCCOc1ccc(CNC2CCCC2C)cc1.
What is the InChIKey of 2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine?
The InChIKey is LMNLHFOKNWEPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-4-5-13-20-17-11-9-16(10-12-17)14-19-18-8-6-7-15(18)2/h9-12,15,18-19H,3-8,13-14H2,1-2H3.
What are the key properties of 2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine?
2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 63462119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).