3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine

C13H17F2N — CID 64505305

IUPAC3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCC(Cc2cccc(F)c2F)C1
InChIInChI=1S/C13H17F2N/c14-12-6-2-4-10(13(12)15)7-9-3-1-5-11(16)8-9/h2,4,6,9,11H,1,3,5,7-8,16H2
InChIKeyPNWACEVOHOPCGN-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.02
Rot. Bonds2

About 3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine

3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine (PubChem CID 64505305) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
PubChem CID64505305
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCC(Cc2cccc(F)c2F)C1
InChIInChI=1S/C13H17F2N/c14-12-6-2-4-10(13(12)15)7-9-3-1-5-11(16)8-9/h2,4,6,9,11H,1,3,5,7-8,16H2
InChIKeyPNWACEVOHOPCGN-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromocyclohexyl)methyl]-2,3-difluorobenzene
CID 64507155
2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine
CID 61381585
3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
CID 103050406
2-(cyclobutylmethyl)-6-fluoroaniline
CID 105438233
1-(cyclobutylmethyl)-2-fluorobenzene
CID 89050192
N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide
CID 106123375
3-[(4-fluorophenyl)methyl]cyclohexan-1-amine
CID 64504117
(3R)-3-benzylcyclohexan-1-amine
CID 168960646
[2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 81010182
1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene
CID 103166558
3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699998
3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102862060

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine (CID 64505305) is 3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine is NC1CCCC(Cc2cccc(F)c2F)C1.
What is the InChIKey of 3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is PNWACEVOHOPCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c14-12-6-2-4-10(13(12)15)7-9-3-1-5-11(16)8-9/h2,4,6,9,11H,1,3,5,7-8,16H2.
What are the key properties of 3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine?
3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64505305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).