4-[(benzylamino)methyl]-2,6-dichloroaniline

C14H14Cl2N2 — CID 82833040

IUPAC4-[(benzylamino)methyl]-2,6-dichloroaniline
SMILESNc1c(Cl)cc(CNCc2ccccc2)cc1Cl
InChIInChI=1S/C14H14Cl2N2/c15-12-6-11(7-13(16)14(12)17)9-18-8-10-4-2-1-3-5-10/h1-7,18H,8-9,17H2
InChIKeyMDMDKFVMFCTRKZ-UHFFFAOYSA-N
MW281.19 g/mol
LogP3.87
Rot. Bonds4

About 4-[(benzylamino)methyl]-2,6-dichloroaniline

4-[(benzylamino)methyl]-2,6-dichloroaniline (PubChem CID 82833040) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 4-[(benzylamino)methyl]-2,6-dichloroaniline.

Molecular Properties

Compound Name4-[(benzylamino)methyl]-2,6-dichloroaniline
PubChem CID82833040
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name4-[(benzylamino)methyl]-2,6-dichloroaniline
SMILESNc1c(Cl)cc(CNCc2ccccc2)cc1Cl
InChIInChI=1S/C14H14Cl2N2/c15-12-6-11(7-13(16)14(12)17)9-18-8-10-4-2-1-3-5-10/h1-7,18H,8-9,17H2
InChIKeyMDMDKFVMFCTRKZ-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 53.87
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

2,6-dichloro-4-[(thiophen-3-ylmethylamino)methyl]aniline
CID 82841230
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-benzyl-1-phenylmethanamine;dichlorotitanium
CID 174633271
4-[[(5-bromothiophen-2-yl)methylamino]methyl]-2,6-dichloroaniline
CID 82840620
2-[(benzylamino)methyl]-4-chloroaniline
CID 154201648
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline
CID 82840790
N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine
CID 103990933
N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine
CID 81324019
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788
N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 54038698
2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline
CID 82841766

Frequently Asked Questions

What is the IUPAC name of 4-[(benzylamino)methyl]-2,6-dichloroaniline?
The IUPAC name of 4-[(benzylamino)methyl]-2,6-dichloroaniline (CID 82833040) is 4-[(benzylamino)methyl]-2,6-dichloroaniline.
What is the SMILES notation for 4-[(benzylamino)methyl]-2,6-dichloroaniline?
The canonical SMILES for 4-[(benzylamino)methyl]-2,6-dichloroaniline is Nc1c(Cl)cc(CNCc2ccccc2)cc1Cl.
What is the InChIKey of 4-[(benzylamino)methyl]-2,6-dichloroaniline?
The InChIKey is MDMDKFVMFCTRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c15-12-6-11(7-13(16)14(12)17)9-18-8-10-4-2-1-3-5-10/h1-7,18H,8-9,17H2.
What are the key properties of 4-[(benzylamino)methyl]-2,6-dichloroaniline?
4-[(benzylamino)methyl]-2,6-dichloroaniline has a molecular weight of 281.19 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(benzylamino)methyl]-2,6-dichloroaniline is sourced from PubChem (CID 82833040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).