N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline

C17H21ClN2 — CID 62135377

IUPACN-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
SMILESCNCc1ccc(N(C)Cc2ccccc2Cl)cc1C
InChIInChI=1S/C17H21ClN2/c1-13-10-16(9-8-14(13)11-19-2)20(3)12-15-6-4-5-7-17(15)18/h4-10,19H,11-12H2,1-3H3
InChIKeyMAOIEVMXHCTYML-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.00
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline

N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline (PubChem CID 62135377) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
PubChem CID62135377
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
SMILESCNCc1ccc(N(C)Cc2ccccc2Cl)cc1C
InChIInChI=1S/C17H21ClN2/c1-13-10-16(9-8-14(13)11-19-2)20(3)12-15-6-4-5-7-17(15)18/h4-10,19H,11-12H2,1-3H3
InChIKeyMAOIEVMXHCTYML-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N,3-trimethyl-4-(methylaminomethyl)aniline
CID 62135688
N-[(3-bromophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 62134209
N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62135016
5-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926249
N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline
CID 62434976
N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline
CID 62135727
N,3-dimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63837321
2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide
CID 62136541
2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzonitrile
CID 107276024
5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol
CID 107201156
N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62288918
2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 107279164

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline (CID 62135377) is N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline is CNCc1ccc(N(C)Cc2ccccc2Cl)cc1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline?
The InChIKey is MAOIEVMXHCTYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-13-10-16(9-8-14(13)11-19-2)20(3)12-15-6-4-5-7-17(15)18/h4-10,19H,11-12H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline?
N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline has a molecular weight of 288.82 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline is sourced from PubChem (CID 62135377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).