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

C16H25NO — CID 2948932

IUPACN-[4-(4-methylphenoxy)butyl]cyclopentanamine
SMILESCc1ccc(OCCCCNC2CCCC2)cc1
InChIInChI=1S/C16H25NO/c1-14-8-10-16(11-9-14)18-13-5-4-12-17-15-6-2-3-7-15/h8-11,15,17H,2-7,12-13H2,1H3
InChIKeyGTYSNUUEQLYULE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.69
Rot. Bonds7

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

N-[4-(4-methylphenoxy)butyl]cyclopentanamine (PubChem CID 2948932) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)butyl]cyclopentanamine.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)butyl]cyclopentanamine
PubChem CID2948932
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[4-(4-methylphenoxy)butyl]cyclopentanamine
SMILESCc1ccc(OCCCCNC2CCCC2)cc1
InChIInChI=1S/C16H25NO/c1-14-8-10-16(11-9-14)18-13-5-4-12-17-15-6-2-3-7-15/h8-11,15,17H,2-7,12-13H2,1H3
InChIKeyGTYSNUUEQLYULE-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-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395
N-[4-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454256
N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine
CID 63648269
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
CID 62454096
N-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612
N-[6-(4-bromo-3-methylphenoxy)hexyl]cyclopropanamine
CID 83134751
N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine
CID 67622919
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine
CID 63515887

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)butyl]cyclopentanamine?
The IUPAC name of N-[4-(4-methylphenoxy)butyl]cyclopentanamine (CID 2948932) is N-[4-(4-methylphenoxy)butyl]cyclopentanamine.
What is the SMILES notation for N-[4-(4-methylphenoxy)butyl]cyclopentanamine?
The canonical SMILES for N-[4-(4-methylphenoxy)butyl]cyclopentanamine is Cc1ccc(OCCCCNC2CCCC2)cc1.
What is the InChIKey of N-[4-(4-methylphenoxy)butyl]cyclopentanamine?
The InChIKey is GTYSNUUEQLYULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14-8-10-16(11-9-14)18-13-5-4-12-17-15-6-2-3-7-15/h8-11,15,17H,2-7,12-13H2,1H3.
What are the key properties of N-[4-(4-methylphenoxy)butyl]cyclopentanamine?
N-[4-(4-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-(4-methylphenoxy)butyl]cyclopentanamine is sourced from PubChem (CID 2948932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).