N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine

C16H23F2N — CID 64762317

IUPACN-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCCc2cc(F)cc(F)c2)C1C
InChIInChI=1S/C16H23F2N/c1-11-4-3-5-16(12(11)2)19-7-6-13-8-14(17)10-15(18)9-13/h8-12,16,19H,3-7H2,1-2H3
InChIKeyVUNRKQRDHUXQHB-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.92
Rot. Bonds4

About N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine

N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 64762317) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID64762317
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCCc2cc(F)cc(F)c2)C1C
InChIInChI=1S/C16H23F2N/c1-11-4-3-5-16(12(11)2)19-7-6-13-8-14(17)10-15(18)9-13/h8-12,16,19H,3-7H2,1-2H3
InChIKeyVUNRKQRDHUXQHB-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 65045905
(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 11920641
4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 64760901
N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine
CID 55091377
N-[2-(2,4-dichlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 64774529
3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine
CID 64623377
N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine
CID 84599082
N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915329
N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 60788665
3-[(2,3-dimethylcyclohexyl)amino]propan-1-ol
CID 60672378
3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923141
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine (CID 64762317) is N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine is CC1CCCC(NCCc2cc(F)cc(F)c2)C1C.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is VUNRKQRDHUXQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-11-4-3-5-16(12(11)2)19-7-6-13-8-14(17)10-15(18)9-13/h8-12,16,19H,3-7H2,1-2H3.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64762317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).