N-[4-(2-methylphenoxy)butyl]cyclopentanamine

C16H25NO — CID 82097612

IUPACN-[4-(2-methylphenoxy)butyl]cyclopentanamine
SMILESCc1ccccc1OCCCCNC1CCCC1
InChIInChI=1S/C16H25NO/c1-14-8-2-5-11-16(14)18-13-7-6-12-17-15-9-3-4-10-15/h2,5,8,11,15,17H,3-4,6-7,9-10,12-13H2,1H3
InChIKeyIJFALPDDTJDOBP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.69
Rot. Bonds7

About N-[4-(2-methylphenoxy)butyl]cyclopentanamine

N-[4-(2-methylphenoxy)butyl]cyclopentanamine (PubChem CID 82097612) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[4-(2-methylphenoxy)butyl]cyclopentanamine.

Molecular Properties

Compound NameN-[4-(2-methylphenoxy)butyl]cyclopentanamine
PubChem CID82097612
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[4-(2-methylphenoxy)butyl]cyclopentanamine
SMILESCc1ccccc1OCCCCNC1CCCC1
InChIInChI=1S/C16H25NO/c1-14-8-2-5-11-16(14)18-13-7-6-12-17-15-9-3-4-10-15/h2,5,8,11,15,17H,3-4,6-7,9-10,12-13H2,1H3
InChIKeyIJFALPDDTJDOBP-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.69
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-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
CID 62454096
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine
CID 62451843
N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine
CID 63506870
N-[4-(4-methylphenoxy)butyl]cyclopentanamine
CID 2948932
N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 86793837
N-ethyl-5-(2-methylphenoxy)pentan-1-amine
CID 62452397
N-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine
CID 105350594
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine
CID 16616246
4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline
CID 82095998

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylphenoxy)butyl]cyclopentanamine?
The IUPAC name of N-[4-(2-methylphenoxy)butyl]cyclopentanamine (CID 82097612) is N-[4-(2-methylphenoxy)butyl]cyclopentanamine.
What is the SMILES notation for N-[4-(2-methylphenoxy)butyl]cyclopentanamine?
The canonical SMILES for N-[4-(2-methylphenoxy)butyl]cyclopentanamine is Cc1ccccc1OCCCCNC1CCCC1.
What is the InChIKey of N-[4-(2-methylphenoxy)butyl]cyclopentanamine?
The InChIKey is IJFALPDDTJDOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14-8-2-5-11-16(14)18-13-7-6-12-17-15-9-3-4-10-15/h2,5,8,11,15,17H,3-4,6-7,9-10,12-13H2,1H3.
What are the key properties of N-[4-(2-methylphenoxy)butyl]cyclopentanamine?
N-[4-(2-methylphenoxy)butyl]cyclopentanamine has a molecular weight of 247.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylphenoxy)butyl]cyclopentanamine is sourced from PubChem (CID 82097612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).