3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine

C14H14ClFN2 — CID 43566180

IUPAC3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine
SMILESNc1cccc(Cl)c1NCCc1cccc(F)c1
InChIInChI=1S/C14H14ClFN2/c15-12-5-2-6-13(17)14(12)18-8-7-10-3-1-4-11(16)9-10/h1-6,9,18H,7-8,17H2
InChIKeyWTVYVWBSQNIXTP-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.72
Rot. Bonds4

About 3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine

3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine (PubChem CID 43566180) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine
PubChem CID43566180
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine
SMILESNc1cccc(Cl)c1NCCc1cccc(F)c1
InChIInChI=1S/C14H14ClFN2/c15-12-5-2-6-13(17)14(12)18-8-7-10-3-1-4-11(16)9-10/h1-6,9,18H,7-8,17H2
InChIKeyWTVYVWBSQNIXTP-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

3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine
CID 102756174
3-fluoro-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125852
6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine
CID 104923773
3-(4-chloroanilino)-4-[2-(3-fluorophenyl)ethylamino]cyclobut-3-ene-1,2-dione
CID 170609376
3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115930156
2-amino-3-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115540075
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102756176
3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine
CID 112647165
2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
3-fluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 115125857
2-N-[2-(4-ethylphenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125831
5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 103582390

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine (CID 43566180) is 3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine is Nc1cccc(Cl)c1NCCc1cccc(F)c1.
What is the InChIKey of 3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine?
The InChIKey is WTVYVWBSQNIXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c15-12-5-2-6-13(17)14(12)18-8-7-10-3-1-4-11(16)9-10/h1-6,9,18H,7-8,17H2.
What are the key properties of 3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine?
3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-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 3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 43566180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).