N-[(2-aminophenyl)methyl]-2,6-dichloroaniline

C13H12Cl2N2 — CID 66418277

IUPACN-[(2-aminophenyl)methyl]-2,6-dichloroaniline
SMILESNc1ccccc1CNc1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2/c14-10-5-3-6-11(15)13(10)17-8-9-4-1-2-7-12(9)16/h1-7,17H,8,16H2
InChIKeyDSVVBULHWRRAAM-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.19
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2,6-dichloroaniline

N-[(2-aminophenyl)methyl]-2,6-dichloroaniline (PubChem CID 66418277) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2,6-dichloroaniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2,6-dichloroaniline
PubChem CID66418277
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC NameN-[(2-aminophenyl)methyl]-2,6-dichloroaniline
SMILESNc1ccccc1CNc1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2/c14-10-5-3-6-11(15)13(10)17-8-9-4-1-2-7-12(9)16/h1-7,17H,8,16H2
InChIKeyDSVVBULHWRRAAM-UHFFFAOYSA-N
XLogP4.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.19
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

3-chloro-2-N-[(2-ethylphenyl)methyl]benzene-1,2-diamine
CID 64680255
2-[(2-chloroanilino)methyl]aniline
CID 66387029
N-[(2-aminophenyl)methyl]-2,6-difluoroaniline
CID 66385039
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid
CID 115462106
2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile
CID 55079654
N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline
CID 114251754
N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline
CID 107643970
2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 65467198
2,6-dichloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 65467216
3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28714106
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dichloroaniline
CID 65467779

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2,6-dichloroaniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-2,6-dichloroaniline (CID 66418277) is N-[(2-aminophenyl)methyl]-2,6-dichloroaniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2,6-dichloroaniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2,6-dichloroaniline is Nc1ccccc1CNc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2,6-dichloroaniline?
The InChIKey is DSVVBULHWRRAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c14-10-5-3-6-11(15)13(10)17-8-9-4-1-2-7-12(9)16/h1-7,17H,8,16H2.
What are the key properties of N-[(2-aminophenyl)methyl]-2,6-dichloroaniline?
N-[(2-aminophenyl)methyl]-2,6-dichloroaniline has a molecular weight of 267.16 g/mol, XLogP of 4.19, 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]-2,6-dichloroaniline is sourced from PubChem (CID 66418277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).