2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline

C16H18Cl2N2 — CID 62979816

IUPAC2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline
SMILESCC(c1ccccc1Cl)N(C)Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H18Cl2N2/c1-11(13-5-3-4-6-14(13)17)20(2)10-12-7-8-15(18)16(19)9-12/h3-9,11H,10,19H2,1-2H3
InChIKeyUIOGBYXUZJYHOJ-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.77
Rot. Bonds4

About 2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline

2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline (PubChem CID 62979816) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline
PubChem CID62979816
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline
SMILESCC(c1ccccc1Cl)N(C)Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H18Cl2N2/c1-11(13-5-3-4-6-14(13)17)20(2)10-12-7-8-15(18)16(19)9-12/h3-9,11H,10,19H2,1-2H3
InChIKeyUIOGBYXUZJYHOJ-UHFFFAOYSA-N
XLogP4.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 63459012
2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline
CID 55001079
N-[(3-bromo-4-methoxyphenyl)methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 63458841
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
CID 79251856
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline
CID 43265322
2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 65485068
5-[[butan-2-yl(ethyl)amino]methyl]-2-chloroaniline
CID 43274087
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107113377
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline?
The IUPAC name of 2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline (CID 62979816) is 2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline.
What is the SMILES notation for 2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline?
The canonical SMILES for 2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline is CC(c1ccccc1Cl)N(C)Cc1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline?
The InChIKey is UIOGBYXUZJYHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-11(13-5-3-4-6-14(13)17)20(2)10-12-7-8-15(18)16(19)9-12/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline?
2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline has a molecular weight of 309.24 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline is sourced from PubChem (CID 62979816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).