2-[(benzylamino)methyl]-4-chloroaniline

C14H15ClN2 — CID 154201648

IUPAC2-[(benzylamino)methyl]-4-chloroaniline
SMILESNc1ccc(Cl)cc1CNCc1ccccc1
InChIInChI=1S/C14H15ClN2/c15-13-6-7-14(16)12(8-13)10-17-9-11-4-2-1-3-5-11/h1-8,17H,9-10,16H2
InChIKeyWKUXZPJJBMVRON-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.21
Rot. Bonds4

About 2-[(benzylamino)methyl]-4-chloroaniline

2-[(benzylamino)methyl]-4-chloroaniline (PubChem CID 154201648) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-[(benzylamino)methyl]-4-chloroaniline.

Molecular Properties

Compound Name2-[(benzylamino)methyl]-4-chloroaniline
PubChem CID154201648
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-[(benzylamino)methyl]-4-chloroaniline
SMILESNc1ccc(Cl)cc1CNCc1ccccc1
InChIInChI=1S/C14H15ClN2/c15-13-6-7-14(16)12(8-13)10-17-9-11-4-2-1-3-5-11/h1-8,17H,9-10,16H2
InChIKeyWKUXZPJJBMVRON-UHFFFAOYSA-N
XLogP3.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.21
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-[(benzylamino)methyl]-4-methylaniline
CID 12628937
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine
CID 4717131
4-chloro-2-(methylaminomethyl)aniline
CID 21064005
4-[(benzylamino)methyl]-2,6-dichloroaniline
CID 82833040
4-chloro-2-[(3-chlorophenyl)methyl]aniline
CID 21497394
N-(2-amino-5-chlorophenyl)-2-phenylacetamide
CID 18071244
4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 115468497
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
N-benzyl-1-phenylmethanamine;dichlorotitanium
CID 174633271
ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate
CID 121221786

Frequently Asked Questions

What is the IUPAC name of 2-[(benzylamino)methyl]-4-chloroaniline?
The IUPAC name of 2-[(benzylamino)methyl]-4-chloroaniline (CID 154201648) is 2-[(benzylamino)methyl]-4-chloroaniline.
What is the SMILES notation for 2-[(benzylamino)methyl]-4-chloroaniline?
The canonical SMILES for 2-[(benzylamino)methyl]-4-chloroaniline is Nc1ccc(Cl)cc1CNCc1ccccc1.
What is the InChIKey of 2-[(benzylamino)methyl]-4-chloroaniline?
The InChIKey is WKUXZPJJBMVRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c15-13-6-7-14(16)12(8-13)10-17-9-11-4-2-1-3-5-11/h1-8,17H,9-10,16H2.
What are the key properties of 2-[(benzylamino)methyl]-4-chloroaniline?
2-[(benzylamino)methyl]-4-chloroaniline has a molecular weight of 246.74 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(benzylamino)methyl]-4-chloroaniline is sourced from PubChem (CID 154201648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).