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

C15H21F2N — CID 79835366

IUPACN-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1ccc(F)cc1F
InChIInChI=1S/C15H21F2N/c1-15(2)8-4-3-5-14(15)18-10-11-6-7-12(16)9-13(11)17/h6-7,9,14,18H,3-5,8,10H2,1-2H3
InChIKeyANWTUNUWTWOGSQ-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.02
Rot. Bonds3

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

N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79835366) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79835366
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1ccc(F)cc1F
InChIInChI=1S/C15H21F2N/c1-15(2)8-4-3-5-14(15)18-10-11-6-7-12(16)9-13(11)17/h6-7,9,14,18H,3-5,8,10H2,1-2H3
InChIKeyANWTUNUWTWOGSQ-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-4,4-dimethylthian-3-amine
CID 79949049
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083467
N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 81436842
N-[(2,6-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861181
3-[[(2,2-dimethylcyclohexyl)amino]methyl]-4-fluorobenzoic acid
CID 107453074
N-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 106862872
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol
CID 79861822
N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline
CID 79829574
N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861534
2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 43433182
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 114076581
N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861962

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine (CID 79835366) is N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is ANWTUNUWTWOGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-15(2)8-4-3-5-14(15)18-10-11-6-7-12(16)9-13(11)17/h6-7,9,14,18H,3-5,8,10H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79835366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).