1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine

C16H24F2N2 — CID 79066741

IUPAC1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCNC(c1ccc(F)cc1F)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H24F2N2/c1-19-15(13-8-7-12(17)11-14(13)18)16(20(2)3)9-5-4-6-10-16/h7-8,11,15,19H,4-6,9-10H2,1-3H3
InChIKeyYUWRIVBLHBFRPH-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.49
Rot. Bonds4

About 1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine

1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79066741) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79066741
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCNC(c1ccc(F)cc1F)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H24F2N2/c1-19-15(13-8-7-12(17)11-14(13)18)16(20(2)3)9-5-4-6-10-16/h7-8,11,15,19H,4-6,9-10H2,1-3H3
InChIKeyYUWRIVBLHBFRPH-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243846
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79063504
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070606
1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 82769632
1-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066068
1-[(2,5-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066890
1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958028
[(2,4-difluorophenyl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831197
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 115852569
1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 82791986
1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243487
1-[(3-fluoro-4-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107128925

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79066741) is 1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine is CNC(c1ccc(F)cc1F)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is YUWRIVBLHBFRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-19-15(13-8-7-12(17)11-14(13)18)16(20(2)3)9-5-4-6-10-16/h7-8,11,15,19H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 282.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79066741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).