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

C13H18F2N2 — CID 62313669

IUPAC4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H18F2N2/c14-10-2-1-9(13(15)7-10)8-17-12-5-3-11(16)4-6-12/h1-2,7,11-12,17H,3-6,8,16H2
InChIKeyPHLJYBOLNUNGRF-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.32
Rot. Bonds3

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

4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine (PubChem CID 62313669) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
PubChem CID62313669
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H18F2N2/c14-10-2-1-9(13(15)7-10)8-17-12-5-3-11(16)4-6-12/h1-2,7,11-12,17H,3-6,8,16H2
InChIKeyPHLJYBOLNUNGRF-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

1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine
CID 79459161
N-[(2,4-difluorophenyl)methyl]-1-oxothian-4-amine
CID 55048533
N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091712
N-[(2,4-difluorophenyl)methyl]thietan-3-amine
CID 130654551
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61033402
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083467
N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 28716417
N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62223639
N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
CID 63807461
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815
2-[[(4-aminocyclohexyl)amino]methyl]-4-chlorophenol
CID 55062770
N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 54911490

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine (CID 62313669) is 4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine is NC1CCC(NCc2ccc(F)cc2F)CC1.
What is the InChIKey of 4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is PHLJYBOLNUNGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c14-10-2-1-9(13(15)7-10)8-17-12-5-3-11(16)4-6-12/h1-2,7,11-12,17H,3-6,8,16H2.
What are the key properties of 4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine?
4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-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 4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62313669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).