3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline

C17H21ClN2 — CID 65488208

IUPAC3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
SMILESCNCc1c(Cl)cccc1N(C)CCc1ccccc1
InChIInChI=1S/C17H21ClN2/c1-19-13-15-16(18)9-6-10-17(15)20(2)12-11-14-7-4-3-5-8-14/h3-10,19H,11-13H2,1-2H3
InChIKeyNVLJAUCVKMHULR-UHFFFAOYSA-N
MW288.82 g/mol
LogP3.74
Rot. Bonds6

About 3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline

3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline (PubChem CID 65488208) 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-(2-phenylethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
PubChem CID65488208
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
SMILESCNCc1c(Cl)cccc1N(C)CCc1ccccc1
InChIInChI=1S/C17H21ClN2/c1-19-13-15-16(18)9-6-10-17(15)20(2)12-11-14-7-4-3-5-8-14/h3-10,19H,11-13H2,1-2H3
InChIKeyNVLJAUCVKMHULR-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)aniline
CID 60912716
3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
CID 63551540
3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 113458658
3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411575
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 60893128
4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 114851960
3-chloro-N-methyl-2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 43564469
3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide
CID 106916853
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline
CID 43571403
2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 77070412
3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418447

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline?
The IUPAC name of 3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline (CID 65488208) is 3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline.
What is the SMILES notation for 3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline?
The canonical SMILES for 3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline is CNCc1c(Cl)cccc1N(C)CCc1ccccc1.
What is the InChIKey of 3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline?
The InChIKey is NVLJAUCVKMHULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-19-13-15-16(18)9-6-10-17(15)20(2)12-11-14-7-4-3-5-8-14/h3-10,19H,11-13H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline?
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline has a molecular weight of 288.82 g/mol, XLogP of 3.74, 6 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-(2-phenylethyl)aniline is sourced from PubChem (CID 65488208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).