N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline

C14H15ClN2 — CID 114251754

IUPACN-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline
SMILESCc1cccc(NCc2ccccc2N)c1Cl
InChIInChI=1S/C14H15ClN2/c1-10-5-4-8-13(14(10)15)17-9-11-6-2-3-7-12(11)16/h2-8,17H,9,16H2,1H3
InChIKeyNUAVVFKNYACLBK-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.84
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline

N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline (PubChem CID 114251754) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline
PubChem CID114251754
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC NameN-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline
SMILESCc1cccc(NCc2ccccc2N)c1Cl
InChIInChI=1S/C14H15ClN2/c1-10-5-4-8-13(14(10)15)17-9-11-6-2-3-7-12(11)16/h2-8,17H,9,16H2,1H3
InChIKeyNUAVVFKNYACLBK-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline
CID 114251746
2-[(2-chloroanilino)methyl]aniline
CID 66387029
2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 60903784
N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline
CID 107630212
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234
2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline
CID 114251709
2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114075281
N-[(2-aminophenyl)methyl]-2,3-difluoroaniline
CID 66419423
2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile
CID 55079654
N-[(2-aminophenyl)methyl]-2,6-dichloroaniline
CID 66418277
N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103584865
N-[(2-bromo-4-fluorophenyl)methyl]-2-chloro-3-methylaniline
CID 114251751

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline (CID 114251754) is N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline is Cc1cccc(NCc2ccccc2N)c1Cl.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline?
The InChIKey is NUAVVFKNYACLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-10-5-4-8-13(14(10)15)17-9-11-6-2-3-7-12(11)16/h2-8,17H,9,16H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline?
N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline has a molecular weight of 246.74 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline is sourced from PubChem (CID 114251754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).