1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine

C17H26FN — CID 65424185

IUPAC1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
SMILESCNC(c1cccc(F)c1)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H26FN/c1-12(2)13-7-9-14(10-8-13)17(19-3)15-5-4-6-16(18)11-15/h4-6,11-14,17,19H,7-10H2,1-3H3
InChIKeyNEMGKNOYPNBPBO-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.55
Rot. Bonds4

About 1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine

1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine (PubChem CID 65424185) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
PubChem CID65424185
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
SMILESCNC(c1cccc(F)c1)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H26FN/c1-12(2)13-7-9-14(10-8-13)17(19-3)15-5-4-6-16(18)11-15/h4-6,11-14,17,19H,7-10H2,1-3H3
InChIKeyNEMGKNOYPNBPBO-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethylcyclopentyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 65411018
2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 115792103
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81369167
1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 65328286
1-cyclopropyl-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484588
1-(3-fluorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79906920
N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine
CID 116952360
1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 64986686
1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
1-cyclopropyl-1-(3,5-difluorophenyl)-N-methylmethanamine;2-methylpropane-2-thiol
CID 170619298
4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937261

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine (CID 65424185) is 1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine is CNC(c1cccc(F)c1)C1CCC(C(C)C)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is NEMGKNOYPNBPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-12(2)13-7-9-14(10-8-13)17(19-3)15-5-4-6-16(18)11-15/h4-6,11-14,17,19H,7-10H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 263.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 65424185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).