2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine

C16H23F2N — CID 114930724

IUPAC2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1c(F)cccc1F
InChIInChI=1S/C16H23F2N/c1-2-10-19-16-9-4-3-6-12(16)11-13-14(17)7-5-8-15(13)18/h5,7-8,12,16,19H,2-4,6,9-11H2,1H3
InChIKeyIOLWOXUKPMHZFF-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.07
Rot. Bonds5

About 2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine

2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 114930724) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
PubChem CID114930724
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1c(F)cccc1F
InChIInChI=1S/C16H23F2N/c1-2-10-19-16-9-4-3-6-12(16)11-13-14(17)7-5-8-15(13)18/h5,7-8,12,16,19H,2-4,6,9-11H2,1H3
InChIKeyIOLWOXUKPMHZFF-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 102856547
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494821
2-[(2-fluoro-3-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 104792663
2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 61382239
2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 55185583
2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399753
2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol
CID 114933070
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 114935178
N-propyl-2-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104736957
2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 54957693

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine (CID 114930724) is 2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1Cc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is IOLWOXUKPMHZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-2-10-19-16-9-4-3-6-12(16)11-13-14(17)7-5-8-15(13)18/h5,7-8,12,16,19H,2-4,6,9-11H2,1H3.
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine?
2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 114930724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).