[4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine

C18H27F2N — CID 82925896

IUPAC[4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine
SMILESCCCCC1CCC(CN)(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H27F2N/c1-2-3-4-14-7-9-18(13-21,10-8-14)12-15-5-6-16(19)17(20)11-15/h5-6,11,14H,2-4,7-10,12-13,21H2,1H3
InChIKeyZIKCSTMHGPAPIQ-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.83
Rot. Bonds6

About [4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine

[4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine (PubChem CID 82925896) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is [4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine
PubChem CID82925896
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name[4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine
SMILESCCCCC1CCC(CN)(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H27F2N/c1-2-3-4-14-7-9-18(13-21,10-8-14)12-15-5-6-16(19)17(20)11-15/h5-6,11,14H,2-4,7-10,12-13,21H2,1H3
InChIKeyZIKCSTMHGPAPIQ-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

4-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-2-chloro-1-fluorobenzene
CID 103042014
[1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine
CID 63520722
1-[(3,4-difluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 82919808
[1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65423125
4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65020505
[1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 107898531
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
CID 14993441
1-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-4-ethylbenzene
CID 66034852
[1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82401788
4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
CID 103050990
1-[[1-(bromomethyl)-4-butylcyclohexyl]methyl]-2,4-difluorobenzene
CID 66050829
[1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 103051053

Frequently Asked Questions

What is the IUPAC name of [4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine (CID 82925896) is [4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine is CCCCC1CCC(CN)(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of [4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine?
The InChIKey is ZIKCSTMHGPAPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-2-3-4-14-7-9-18(13-21,10-8-14)12-15-5-6-16(19)17(20)11-15/h5-6,11,14H,2-4,7-10,12-13,21H2,1H3.
What are the key properties of [4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine?
[4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine has a molecular weight of 295.42 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 82925896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).