[4-(4-aminophenyl)cyclohexyl] butanoate

C16H23NO2 — CID 175259325

IUPAC[4-(4-aminophenyl)cyclohexyl] butanoate
SMILESCCCC(=O)OC1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H23NO2/c1-2-3-16(18)19-15-10-6-13(7-11-15)12-4-8-14(17)9-5-12/h4-5,8-9,13,15H,2-3,6-7,10-11,17H2,1H3
InChIKeyAKXILQTUIGSJMP-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.64
Rot. Bonds4

About [4-(4-aminophenyl)cyclohexyl] butanoate

[4-(4-aminophenyl)cyclohexyl] butanoate (PubChem CID 175259325) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [4-(4-aminophenyl)cyclohexyl] butanoate.

Molecular Properties

Compound Name[4-(4-aminophenyl)cyclohexyl] butanoate
PubChem CID175259325
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[4-(4-aminophenyl)cyclohexyl] butanoate
SMILESCCCC(=O)OC1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H23NO2/c1-2-3-16(18)19-15-10-6-13(7-11-15)12-4-8-14(17)9-5-12/h4-5,8-9,13,15H,2-3,6-7,10-11,17H2,1H3
InChIKeyAKXILQTUIGSJMP-UHFFFAOYSA-N
XLogP3.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-cyanophenyl)cyclohexyl] pentanoate
CID 22755319
(4-methylcyclohexyl) 3-(4-aminophenoxy)propanoate
CID 61310429
(4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate
CID 64775888
[4-[4-(1,1-difluoropropyl)phenyl]cyclohexyl] 3-fluoropropanoate
CID 20615099
[4-(4-methylcyclohexyl)phenyl] butanoate
CID 163951339
[4-[4-[4-[(2R)-2-fluorohexanoyl]oxycyclohexyl]phenyl]cyclohexyl] (2R)-2-fluorohexanoate
CID 56638055
[4-(4-ethylcyclohexyl)phenyl] butanoate
CID 172759625
[4-[(benzylamino)methyl]cyclohexyl] butanoate
CID 91414149
[4-[4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]phenyl]cyclohexyl] (2R)-2-fluoropropanoate
CID 56612652
copper;cyclohexyl butanoate
CID 67654151
strontium;cyclohexyl butanoate;hydride
CID 173148532
magnesium;cyclohexyl butanoate;hydride
CID 174620917

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminophenyl)cyclohexyl] butanoate?
The IUPAC name of [4-(4-aminophenyl)cyclohexyl] butanoate (CID 175259325) is [4-(4-aminophenyl)cyclohexyl] butanoate.
What is the SMILES notation for [4-(4-aminophenyl)cyclohexyl] butanoate?
The canonical SMILES for [4-(4-aminophenyl)cyclohexyl] butanoate is CCCC(=O)OC1CCC(c2ccc(N)cc2)CC1.
What is the InChIKey of [4-(4-aminophenyl)cyclohexyl] butanoate?
The InChIKey is AKXILQTUIGSJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-16(18)19-15-10-6-13(7-11-15)12-4-8-14(17)9-5-12/h4-5,8-9,13,15H,2-3,6-7,10-11,17H2,1H3.
What are the key properties of [4-(4-aminophenyl)cyclohexyl] butanoate?
[4-(4-aminophenyl)cyclohexyl] butanoate has a molecular weight of 261.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminophenyl)cyclohexyl] butanoate is sourced from PubChem (CID 175259325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).