N'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine

C15H16F2N2 — CID 51623966

IUPACN'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine
SMILESNCCN[C@@H](c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2N2/c16-12-6-7-13(14(17)10-12)15(19-9-8-18)11-4-2-1-3-5-11/h1-7,10,15,19H,8-9,18H2/t15-/m0/s1
InChIKeyONJDXVOXFYLMBZ-HNNXBMFYSA-N
MW262.30 g/mol
LogP2.60
Rot. Bonds5

About N'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine

N'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine (PubChem CID 51623966) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is N'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine
PubChem CID51623966
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC NameN'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine
SMILESNCCN[C@@H](c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2N2/c16-12-6-7-13(14(17)10-12)15(19-9-8-18)11-4-2-1-3-5-11/h1-7,10,15,19H,8-9,18H2/t15-/m0/s1
InChIKeyONJDXVOXFYLMBZ-HNNXBMFYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
[(2,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105193044
N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491063
2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8596226
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
N-[(3-bromo-5-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496254
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494667
N-benzhydryl-2,4-difluoroaniline
CID 82096621
cumene;2,4-difluoro-1-propan-2-ylbenzene
CID 156717467
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119

Frequently Asked Questions

What is the IUPAC name of N'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine?
The IUPAC name of N'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine (CID 51623966) is N'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine is NCCN[C@@H](c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of N'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine?
The InChIKey is ONJDXVOXFYLMBZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16F2N2/c16-12-6-7-13(14(17)10-12)15(19-9-8-18)11-4-2-1-3-5-11/h1-7,10,15,19H,8-9,18H2/t15-/m0/s1.
What are the key properties of N'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine?
N'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine has a molecular weight of 262.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine is sourced from PubChem (CID 51623966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).