N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline

C17H21ClN2 — CID 61416767

IUPACN-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
SMILESCCNCc1ccccc1N(C)Cc1ccccc1Cl
InChIInChI=1S/C17H21ClN2/c1-3-19-12-14-8-5-7-11-17(14)20(2)13-15-9-4-6-10-16(15)18/h4-11,19H,3,12-13H2,1-2H3
InChIKeyQQUKXNCJIUXWEO-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.09
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline

N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline (PubChem CID 61416767) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
PubChem CID61416767
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
SMILESCCNCc1ccccc1N(C)Cc1ccccc1Cl
InChIInChI=1S/C17H21ClN2/c1-3-19-12-14-8-5-7-11-17(14)20(2)13-15-9-4-6-10-16(15)18/h4-11,19H,3,12-13H2,1-2H3
InChIKeyQQUKXNCJIUXWEO-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 61416913
N-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105073707
N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline
CID 63551727
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114848763
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281923
N-[(2-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 66450287
3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine
CID 81246615
2-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63836968
N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685447
N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide
CID 54980661
[5-chloro-2-[(2-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845316
2-[(2-chlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 61417210

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline (CID 61416767) is N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline is CCNCc1ccccc1N(C)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline?
The InChIKey is QQUKXNCJIUXWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-3-19-12-14-8-5-7-11-17(14)20(2)13-15-9-4-6-10-16(15)18/h4-11,19H,3,12-13H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline?
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline has a molecular weight of 288.82 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline is sourced from PubChem (CID 61416767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).