1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine

C14H14ClFN2 — CID 61414834

IUPAC1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
SMILESCN(Cc1ccc(Cl)cc1)c1ccc(F)cc1N
InChIInChI=1S/C14H14ClFN2/c1-18(9-10-2-4-11(15)5-3-10)14-7-6-12(16)8-13(14)17/h2-8H,9,17H2,1H3
InChIKeyNPWCHBBTGVPLBH-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.70
Rot. Bonds3

About 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine

1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine (PubChem CID 61414834) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
PubChem CID61414834
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
SMILESCN(Cc1ccc(Cl)cc1)c1ccc(F)cc1N
InChIInChI=1S/C14H14ClFN2/c1-18(9-10-2-4-11(15)5-3-10)14-7-6-12(16)8-13(14)17/h2-8H,9,17H2,1H3
InChIKeyNPWCHBBTGVPLBH-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 28798518
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine
CID 103590061
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 61414753
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
CID 61414831
3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide
CID 61415166
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline
CID 115213176
2-chloro-4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554599
4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911
1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 115125081
4-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61357479
2-[(4-aminophenyl)methyl-methylamino]-5-fluorobenzonitrile
CID 63673135
2-(2-aminopropyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114861654

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine (CID 61414834) is 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine is CN(Cc1ccc(Cl)cc1)c1ccc(F)cc1N.
What is the InChIKey of 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine?
The InChIKey is NPWCHBBTGVPLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-18(9-10-2-4-11(15)5-3-10)14-7-6-12(16)8-13(14)17/h2-8H,9,17H2,1H3.
What are the key properties of 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine?
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine has a molecular weight of 264.73 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 61414834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).