1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine

C14H14ClFN2 — CID 61380758

IUPAC1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
SMILESNc1c(F)cccc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClFN2/c15-11-6-4-10(5-7-11)8-9-18-13-3-1-2-12(16)14(13)17/h1-7,18H,8-9,17H2
InChIKeyDUFBCFZCCXBBJK-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.72
Rot. Bonds4

About 1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine

1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine (PubChem CID 61380758) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
PubChem CID61380758
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
SMILESNc1c(F)cccc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClFN2/c15-11-6-4-10(5-7-11)8-9-18-13-3-1-2-12(16)14(13)17/h1-7,18H,8-9,17H2
InChIKeyDUFBCFZCCXBBJK-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 54798222
3-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63078168
N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine
CID 54795955
1-N-butyl-3-fluorobenzene-1,2-diamine
CID 60783282
3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255756
3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 63242054
N-[2-(4-aminophenyl)ethyl]-3-fluoro-2-nitroaniline
CID 63237015
3-fluoro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394045
3-fluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 63829324
1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine
CID 61167849
3-fluoro-1-N-(5-methylhexyl)benzene-1,2-diamine
CID 115324654
2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446531

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine (CID 61380758) is 1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine is Nc1c(F)cccc1NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine?
The InChIKey is DUFBCFZCCXBBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c15-11-6-4-10(5-7-11)8-9-18-13-3-1-2-12(16)14(13)17/h1-7,18H,8-9,17H2.
What are the key properties of 1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine?
1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine has a molecular weight of 264.73 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 61380758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).