4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine

C15H16ClFN2 — CID 43231317

IUPAC4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Cl)cc1NCc1ccccc1F
InChIInChI=1S/C15H16ClFN2/c1-19(2)15-8-7-12(16)9-14(15)18-10-11-5-3-4-6-13(11)17/h3-9,18H,10H2,1-2H3
InChIKeyOMBFAUOPMOEGHX-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.16
Rot. Bonds4

About 4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine

4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 43231317) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID43231317
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Cl)cc1NCc1ccccc1F
InChIInChI=1S/C15H16ClFN2/c1-19(2)15-8-7-12(16)9-14(15)18-10-11-5-3-4-6-13(11)17/h3-9,18H,10H2,1-2H3
InChIKeyOMBFAUOPMOEGHX-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine (CID 43231317) is 4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine is CN(C)c1ccc(Cl)cc1NCc1ccccc1F.
What is the InChIKey of 4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is OMBFAUOPMOEGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-19(2)15-8-7-12(16)9-14(15)18-10-11-5-3-4-6-13(11)17/h3-9,18H,10H2,1-2H3.
What are the key properties of 4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 278.76 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43231317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).