3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline

C17H21ClN2 — CID 61411575

IUPAC3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
SMILESCNCc1c(Cl)cccc1N(C)Cc1cccc(C)c1
InChIInChI=1S/C17H21ClN2/c1-13-6-4-7-14(10-13)12-20(3)17-9-5-8-16(18)15(17)11-19-2/h4-10,19H,11-12H2,1-3H3
InChIKeyLIGXSMGFGUYAHE-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.00
Rot. Bonds5

About 3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline

3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline (PubChem CID 61411575) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
PubChem CID61411575
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
SMILESCNCc1c(Cl)cccc1N(C)Cc1cccc(C)c1
InChIInChI=1S/C17H21ClN2/c1-13-6-4-7-14(10-13)12-20(3)17-9-5-8-16(18)15(17)11-19-2/h4-10,19H,11-12H2,1-3H3
InChIKeyLIGXSMGFGUYAHE-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

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Related Compounds

3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
CID 63551540
N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411671
3-chloro-N-methyl-2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 43564469
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 65488208
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 60893128
N-methyl-3-(methylaminomethyl)-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246986
2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 114879522
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)aniline
CID 60912716
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline
CID 43571403
N-methyl-6-(methylaminomethyl)-N-[(3-methylphenyl)methyl]pyridazin-3-amine
CID 62289611
2-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)aniline
CID 81149545

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline?
The IUPAC name of 3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline (CID 61411575) is 3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for 3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline is CNCc1c(Cl)cccc1N(C)Cc1cccc(C)c1.
What is the InChIKey of 3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline?
The InChIKey is LIGXSMGFGUYAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-13-6-4-7-14(10-13)12-20(3)17-9-5-8-16(18)15(17)11-19-2/h4-10,19H,11-12H2,1-3H3.
What are the key properties of 3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline?
3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]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 3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 61411575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).