2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine

C17H27NO — CID 115492496

IUPAC2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine
SMILESCCCCc1ccc(OCCC2CCCC2N)cc1
InChIInChI=1S/C17H27NO/c1-2-3-5-14-8-10-16(11-9-14)19-13-12-15-6-4-7-17(15)18/h8-11,15,17H,2-7,12-13,18H2,1H3
InChIKeyFXXBDNPRMGPPQG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.93
Rot. Bonds7

About 2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine

2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine (PubChem CID 115492496) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine
PubChem CID115492496
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine
SMILESCCCCc1ccc(OCCC2CCCC2N)cc1
InChIInChI=1S/C17H27NO/c1-2-3-5-14-8-10-16(11-9-14)19-13-12-15-6-4-7-17(15)18/h8-11,15,17H,2-7,12-13,18H2,1H3
InChIKeyFXXBDNPRMGPPQG-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-butylphenoxy)ethyl]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

4-[2-(4-butylphenoxy)ethyl]piperidine
CID 115492732
2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentan-1-amine
CID 79572200
N-[2-(4-butylphenoxy)ethyl]cycloheptanamine
CID 115493422
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
1-butyl-4-(4-chlorobutoxy)benzene
CID 115492522
1-hexoxy-4-pentylbenzene
CID 54277450
cis-(1R,2R)-2-[3-(4-chlorophenyl)propyl]cyclopentan-1-amine
CID 91570525
5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine
CID 57067508
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
1-(4-bromobutoxy)-4-butylbenzene
CID 67807255

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine (CID 115492496) is 2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine is CCCCc1ccc(OCCC2CCCC2N)cc1.
What is the InChIKey of 2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine?
The InChIKey is FXXBDNPRMGPPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-5-14-8-10-16(11-9-14)19-13-12-15-6-4-7-17(15)18/h8-11,15,17H,2-7,12-13,18H2,1H3.
What are the key properties of 2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine?
2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butylphenoxy)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 115492496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).