N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline

C14H15ClN2 — CID 39349545

IUPACN-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline
SMILESCN(Cc1ccc(N)cc1)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2/c1-17(14-4-2-3-12(15)9-14)10-11-5-7-13(16)8-6-11/h2-9H,10,16H2,1H3
InChIKeyTWBVJBGRCQMQAI-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.56
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline

N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline (PubChem CID 39349545) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline
PubChem CID39349545
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC NameN-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline
SMILESCN(Cc1ccc(N)cc1)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2/c1-17(14-4-2-3-12(15)9-14)10-11-5-7-13(16)8-6-11/h2-9H,10,16H2,1H3
InChIKeyTWBVJBGRCQMQAI-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_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
4-N-[(3-chloro-4-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 103038289
aniline;N-benzyl-N-methylaniline
CID 163577424
4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911
3-[(3-chlorophenyl)methyl-methylamino]benzonitrile
CID 55152648
4-[(3-amino-N-methylanilino)methyl]benzamide
CID 61295633
2-chloro-4-[(3-chlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 62948291
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline
CID 115213189
1-[2-amino-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528496
4-[(N-methylanilino)methyl]benzene-1,2-diamine
CID 82183980
1-N-[(3-chlorophenyl)methyl]-2,6-difluoro-1-N-methylbenzene-1,4-diamine
CID 61413666

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline (CID 39349545) is N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline is CN(Cc1ccc(N)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline?
The InChIKey is TWBVJBGRCQMQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-17(14-4-2-3-12(15)9-14)10-11-5-7-13(16)8-6-11/h2-9H,10,16H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline?
N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline 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 N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline is sourced from PubChem (CID 39349545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).