4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine

C18H27F2N — CID 105412616

IUPAC4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
SMILESCCNC(CCC1CCCCC1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H27F2N/c1-2-21-18(9-8-14-6-4-3-5-7-14)12-15-10-16(19)13-17(20)11-15/h10-11,13-14,18,21H,2-9,12H2,1H3
InChIKeyBPPMMLORCMYIAP-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.85
Rot. Bonds7

About 4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine

4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine (PubChem CID 105412616) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is 4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
PubChem CID105412616
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
SMILESCCNC(CCC1CCCCC1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H27F2N/c1-2-21-18(9-8-14-6-4-3-5-7-14)12-15-10-16(19)13-17(20)11-15/h10-11,13-14,18,21H,2-9,12H2,1H3
InChIKeyBPPMMLORCMYIAP-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-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-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine
CID 63527108
4-cyclopentyl-N-ethyl-1-phenylbutan-2-amine
CID 63526556
1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine
CID 103043472
[4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine
CID 105206736
1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
CID 105015590
1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105412474
4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine
CID 61065009
4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 105406565
4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 103149509
1-(3,5-difluorophenyl)-N-ethylhept-5-yn-2-amine
CID 113455261
1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412597
4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012509

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine?
The IUPAC name of 4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine (CID 105412616) is 4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine.
What is the SMILES notation for 4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine?
The canonical SMILES for 4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine is CCNC(CCC1CCCCC1)Cc1cc(F)cc(F)c1.
What is the InChIKey of 4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine?
The InChIKey is BPPMMLORCMYIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-2-21-18(9-8-14-6-4-3-5-7-14)12-15-10-16(19)13-17(20)11-15/h10-11,13-14,18,21H,2-9,12H2,1H3.
What are the key properties of 4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine?
4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine is sourced from PubChem (CID 105412616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).