4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine

C16H25FN2 — CID 116907240

IUPAC4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(c2ccccc2F)N(C)C)CC1
InChIInChI=1S/C16H25FN2/c1-18-13-10-8-12(9-11-13)16(19(2)3)14-6-4-5-7-15(14)17/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyYLNNZTBNYQRJOS-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.21
Rot. Bonds4

About 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine

4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 116907240) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID116907240
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(c2ccccc2F)N(C)C)CC1
InChIInChI=1S/C16H25FN2/c1-18-13-10-8-12(9-11-13)16(19(2)3)14-6-4-5-7-15(14)17/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyYLNNZTBNYQRJOS-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116907238
1-(1-cyclopropylethyl)-2-fluorobenzene
CID 126566249
1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
1-[bromo(cyclopropyl)methyl]-2-fluorobenzene
CID 174663726
1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65400352
4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937274
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 62985981
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid
CID 116953971
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957100
4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937261

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine (CID 116907240) is 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCC(C(c2ccccc2F)N(C)C)CC1.
What is the InChIKey of 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is YLNNZTBNYQRJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-18-13-10-8-12(9-11-13)16(19(2)3)14-6-4-5-7-15(14)17/h4-7,12-13,16,18H,8-11H2,1-3H3.
What are the key properties of 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116907240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).