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

C14H14ClFN2 — CID 82133663

IUPACN-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine
SMILESNCC(Nc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H14ClFN2/c15-12-8-11(6-7-13(12)16)18-14(9-17)10-4-2-1-3-5-10/h1-8,14,18H,9,17H2
InChIKeyMIMQOQNRSSDGFQ-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.59
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine (PubChem CID 82133663) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine
PubChem CID82133663
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine
SMILESNCC(Nc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H14ClFN2/c15-12-8-11(6-7-13(12)16)18-14(9-17)10-4-2-1-3-5-10/h1-8,14,18H,9,17H2
InChIKeyMIMQOQNRSSDGFQ-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-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 81144777
1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine
CID 65380106
3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
CID 43119213
N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 104721816
1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 65380315
N-(4-chlorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 65384888
N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
4-[1-(3-chloro-4-fluoroanilino)propyl]phenol
CID 43119212
N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 104776408
1-(5-chloro-2-fluorophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 114843402
N-(4-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131042

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine (CID 82133663) is N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine is NCC(Nc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine?
The InChIKey is MIMQOQNRSSDGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c15-12-8-11(6-7-13(12)16)18-14(9-17)10-4-2-1-3-5-10/h1-8,14,18H,9,17H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine?
N-(3-chloro-4-fluorophenyl)-1-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 N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 82133663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).