1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine

C13H18F2N2 — CID 79459161

IUPAC1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine
SMILESNC1CCCC(NCc2ccc(F)cc2F)C1
InChIInChI=1S/C13H18F2N2/c14-10-5-4-9(13(15)6-10)8-17-12-3-1-2-11(16)7-12/h4-6,11-12,17H,1-3,7-8,16H2
InChIKeyPFPUWPSGCZAFKO-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.32
Rot. Bonds3

About 1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine

1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine (PubChem CID 79459161) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine
PubChem CID79459161
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine
SMILESNC1CCCC(NCc2ccc(F)cc2F)C1
InChIInChI=1S/C13H18F2N2/c14-10-5-4-9(13(15)6-10)8-17-12-3-1-2-11(16)7-12/h4-6,11-12,17H,1-3,7-8,16H2
InChIKeyPFPUWPSGCZAFKO-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313669
N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091712
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083467
N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62223639
3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol
CID 43751094
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815
N-[(2,4-difluorophenyl)methyl]thietan-3-amine
CID 130654551
N-[(2,4-difluorophenyl)methyl]-1-oxothian-4-amine
CID 55048533
1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine
CID 106899393
4-[[(3-aminocyclohexyl)amino]methyl]phenol
CID 114331392
1-N-(2-chloro-4-fluorophenyl)cyclohexane-1,3-diamine
CID 79459216
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317429

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine (CID 79459161) is 1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine is NC1CCCC(NCc2ccc(F)cc2F)C1.
What is the InChIKey of 1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine?
The InChIKey is PFPUWPSGCZAFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c14-10-5-4-9(13(15)6-10)8-17-12-3-1-2-11(16)7-12/h4-6,11-12,17H,1-3,7-8,16H2.
What are the key properties of 1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine?
1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine has a molecular weight of 240.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79459161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).