1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine

C18H28FN — CID 65400352

IUPAC1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1F)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H28FN/c1-18(2,3)14-11-9-13(10-12-14)17(20-4)15-7-5-6-8-16(15)19/h5-8,13-14,17,20H,9-12H2,1-4H3
InChIKeyIWVJPGVKPIXYDA-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.94
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine

1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine (PubChem CID 65400352) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine
PubChem CID65400352
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1F)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H28FN/c1-18(2,3)14-11-9-13(10-12-14)17(20-4)15-7-5-6-8-16(15)19/h5-8,13-14,17,20H,9-12H2,1-4H3
InChIKeyIWVJPGVKPIXYDA-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957100
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid
CID 116953971
N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105094933
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210
[(4-tert-butylcyclohexyl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105232729
1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
[(4-tert-butylcyclohexyl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105232745
N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 104574961
1-(2,2-dimethylcyclopropyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 107004239
1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
CID 79602849
1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 63501939

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine (CID 65400352) is 1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine is CNC(c1ccccc1F)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine?
The InChIKey is IWVJPGVKPIXYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-18(2,3)14-11-9-13(10-12-14)17(20-4)15-7-5-6-8-16(15)19/h5-8,13-14,17,20H,9-12H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine?
1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine has a molecular weight of 277.43 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 65400352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).