1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine

C14H14ClFN2 — CID 65380106

IUPAC1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine
SMILESNCC(Nc1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H14ClFN2/c15-12-7-6-10(8-13(12)16)14(9-17)18-11-4-2-1-3-5-11/h1-8,14,18H,9,17H2
InChIKeyQRNBFFROGYDTSP-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.59
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine

1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine (PubChem CID 65380106) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine
PubChem CID65380106
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine
SMILESNCC(Nc1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H14ClFN2/c15-12-7-6-10(8-13(12)16)14(9-17)18-11-4-2-1-3-5-11/h1-8,14,18H,9,17H2
InChIKeyQRNBFFROGYDTSP-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81145659
1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine
CID 62066014
1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 65380315
1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 65376445
N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine
CID 82133663
1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 62071197
1-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862
1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine
CID 115524370
1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 81144777
N-(4-chlorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 65384888
1-(4-chloro-3-fluorophenyl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 65384161
1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 83230125

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine (CID 65380106) is 1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine is NCC(Nc1ccccc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine?
The InChIKey is QRNBFFROGYDTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c15-12-7-6-10(8-13(12)16)14(9-17)18-11-4-2-1-3-5-11/h1-8,14,18H,9,17H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine?
1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine has a molecular weight of 264.73 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine is sourced from PubChem (CID 65380106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).