N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline

C14H15ClN2 — CID 83960754

IUPACN-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline
SMILESCc1ccc(Cl)cc1NCc1cccc(N)c1
InChIInChI=1S/C14H15ClN2/c1-10-5-6-12(15)8-14(10)17-9-11-3-2-4-13(16)7-11/h2-8,17H,9,16H2,1H3
InChIKeyPVFHLAZPBGOIHR-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.84
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline

N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline (PubChem CID 83960754) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline
PubChem CID83960754
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC NameN-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline
SMILESCc1ccc(Cl)cc1NCc1cccc(N)c1
InChIInChI=1S/C14H15ClN2/c1-10-5-6-12(15)8-14(10)17-9-11-3-2-4-13(16)7-11/h2-8,17H,9,16H2,1H3
InChIKeyPVFHLAZPBGOIHR-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

5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 28553559
2-[(3-aminophenyl)methylamino]-4-chlorobenzonitrile
CID 63083140
4-chloro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 113315630
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451
2-[(3-aminophenyl)methylamino]-5-chlorobenzamide
CID 62500264
3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 62589428
N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline
CID 115211768
4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932187
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
CID 83235718
N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-5-chloro-2-methylaniline
CID 126127108
4-chloro-1-N-[(3,4-dimethylphenyl)methyl]benzene-1,2-diamine
CID 115125234
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 29040909

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline?
The IUPAC name of N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline (CID 83960754) is N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline?
The canonical SMILES for N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline is Cc1ccc(Cl)cc1NCc1cccc(N)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline?
The InChIKey is PVFHLAZPBGOIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-10-5-6-12(15)8-14(10)17-9-11-3-2-4-13(16)7-11/h2-8,17H,9,16H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline?
N-[(3-aminophenyl)methyl]-5-chloro-2-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-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline is sourced from PubChem (CID 83960754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).