5-chloro-2-[(N-methylanilino)methyl]aniline

C14H15ClN2 — CID 62100206

IUPAC5-chloro-2-[(N-methylanilino)methyl]aniline
SMILESCN(Cc1ccc(Cl)cc1N)c1ccccc1
InChIInChI=1S/C14H15ClN2/c1-17(13-5-3-2-4-6-13)10-11-7-8-12(15)9-14(11)16/h2-9H,10,16H2,1H3
InChIKeyTYEFUMCSFBSVSH-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.56
Rot. Bonds3

About 5-chloro-2-[(N-methylanilino)methyl]aniline

5-chloro-2-[(N-methylanilino)methyl]aniline (PubChem CID 62100206) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 5-chloro-2-[(N-methylanilino)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(N-methylanilino)methyl]aniline
PubChem CID62100206
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name5-chloro-2-[(N-methylanilino)methyl]aniline
SMILESCN(Cc1ccc(Cl)cc1N)c1ccccc1
InChIInChI=1S/C14H15ClN2/c1-17(13-5-3-2-4-6-13)10-11-7-8-12(15)9-14(11)16/h2-9H,10,16H2,1H3
InChIKeyTYEFUMCSFBSVSH-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 43577989
4-methyl-3-[(N-methylanilino)methyl]aniline
CID 82128220
4-[(N-methylanilino)methyl]benzene-1,2-diamine
CID 82183980
2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 65317637
5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline
CID 79476388
5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 63632089
5-chloro-2-[[3-methoxypropyl(methyl)amino]methyl]aniline
CID 62984797
6-chloro-3-[(N-methylanilino)methyl]-1H-pyridin-2-one
CID 87948906
2-[[bis(3-methylbutyl)amino]methyl]-5-chloroaniline
CID 107869294
5-chloro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 62100733
2-[(2-aminophenyl)methyl-methylamino]-5-chlorobenzamide
CID 62494381
2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide
CID 63083482

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(N-methylanilino)methyl]aniline?
The IUPAC name of 5-chloro-2-[(N-methylanilino)methyl]aniline (CID 62100206) is 5-chloro-2-[(N-methylanilino)methyl]aniline.
What is the SMILES notation for 5-chloro-2-[(N-methylanilino)methyl]aniline?
The canonical SMILES for 5-chloro-2-[(N-methylanilino)methyl]aniline is CN(Cc1ccc(Cl)cc1N)c1ccccc1.
What is the InChIKey of 5-chloro-2-[(N-methylanilino)methyl]aniline?
The InChIKey is TYEFUMCSFBSVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-17(13-5-3-2-4-6-13)10-11-7-8-12(15)9-14(11)16/h2-9H,10,16H2,1H3.
What are the key properties of 5-chloro-2-[(N-methylanilino)methyl]aniline?
5-chloro-2-[(N-methylanilino)methyl]aniline 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 5-chloro-2-[(N-methylanilino)methyl]aniline is sourced from PubChem (CID 62100206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).