4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine

C14H15ClN2 — CID 28895019

IUPAC4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
SMILESCN(Cc1cccc(Cl)c1)c1ccc(N)cc1
InChIInChI=1S/C14H15ClN2/c1-17(14-7-5-13(16)6-8-14)10-11-3-2-4-12(15)9-11/h2-9H,10,16H2,1H3
InChIKeyCTHNNRNTSDDNJA-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.56
Rot. Bonds3

About 4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine

4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine (PubChem CID 28895019) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
PubChem CID28895019
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
SMILESCN(Cc1cccc(Cl)c1)c1ccc(N)cc1
InChIInChI=1S/C14H15ClN2/c1-17(14-7-5-13(16)6-8-14)10-11-3-2-4-12(15)9-11/h2-9H,10,16H2,1H3
InChIKeyCTHNNRNTSDDNJA-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline
CID 39349545
4-[(1S)-1-aminoethyl]-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 78934700
4-N-[(3-chloro-4-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 103038289
1-N-[(3-chlorophenyl)methyl]-2,6-difluoro-1-N-methylbenzene-1,4-diamine
CID 61413666
1-[2-amino-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528496
1-N-[(3-chlorophenyl)methyl]-1-N-methyl-4-nitrobenzene-1,3-diamine
CID 106751500
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227
2-chloro-4-[(3-chlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 62948291
4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline
CID 149144793
6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80646738
3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212134

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine (CID 28895019) is 4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine is CN(Cc1cccc(Cl)c1)c1ccc(N)cc1.
What is the InChIKey of 4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine?
The InChIKey is CTHNNRNTSDDNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-17(14-7-5-13(16)6-8-14)10-11-3-2-4-12(15)9-11/h2-9H,10,16H2,1H3.
What are the key properties of 4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine?
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine has a molecular weight of 246.74 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 28895019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).