1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine

C18H27F2N — CID 115859834

IUPAC1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
SMILESCCCCC1CCC(C(NC)c2c(F)cccc2F)CC1
InChIInChI=1S/C18H27F2N/c1-3-4-6-13-9-11-14(12-10-13)18(21-2)17-15(19)7-5-8-16(17)20/h5,7-8,13-14,18,21H,3-4,6,9-12H2,1-2H3
InChIKeyFIMMEWHRTUUGAY-UHFFFAOYSA-N
MW295.42 g/mol
LogP5.22
Rot. Bonds6

About 1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine

1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine (PubChem CID 115859834) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
PubChem CID115859834
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
SMILESCCCCC1CCC(C(NC)c2c(F)cccc2F)CC1
InChIInChI=1S/C18H27F2N/c1-3-4-6-13-9-11-14(12-10-13)18(21-2)17-15(19)7-5-8-16(17)20/h5,7-8,13-14,18,21H,3-4,6,9-12H2,1-2H3
InChIKeyFIMMEWHRTUUGAY-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.42
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105149389
(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
CID 115827979
1-(4-butylcyclohexyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006471
1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 105149449
(4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine
CID 115861911
1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 55196072
1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480190
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859863
1-(4-butylcyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102649544
N-[(2,6-difluorophenyl)-(3-ethylcyclopentyl)methyl]propan-1-amine
CID 65409865
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 82793249
1-[[4-(4-butylcyclohexyl)cyclohexyl]-[[4-(4-butylcyclohexyl)cyclohexyl]-(2,3-difluorophenyl)methoxy]methyl]-2,3-difluorobenzene
CID 57022347

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine (CID 115859834) is 1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine is CCCCC1CCC(C(NC)c2c(F)cccc2F)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
The InChIKey is FIMMEWHRTUUGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-3-4-6-13-9-11-14(12-10-13)18(21-2)17-15(19)7-5-8-16(17)20/h5,7-8,13-14,18,21H,3-4,6,9-12H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine has a molecular weight of 295.42 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 115859834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).