5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline

C18H23ClN2 — CID 114847739

IUPAC5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline
SMILESCCNCc1ccc(Cl)cc1N(C)Cc1ccc(C)cc1
InChIInChI=1S/C18H23ClN2/c1-4-20-12-16-9-10-17(19)11-18(16)21(3)13-15-7-5-14(2)6-8-15/h5-11,20H,4,12-13H2,1-3H3
InChIKeyIKUWEXXDTJCRBM-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.39
Rot. Bonds6

About 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline

5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline (PubChem CID 114847739) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline
PubChem CID114847739
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline
SMILESCCNCc1ccc(Cl)cc1N(C)Cc1ccc(C)cc1
InChIInChI=1S/C18H23ClN2/c1-4-20-12-16-9-10-17(19)11-18(16)21(3)13-15-7-5-14(2)6-8-15/h5-11,20H,4,12-13H2,1-3H3
InChIKeyIKUWEXXDTJCRBM-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848350
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114848763
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845317
N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 61414703
N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline
CID 63552832
2-N-[5-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190004
5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline
CID 114850518
N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline
CID 43281348
N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114851389
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 114848876
5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
CID 114847884

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline (CID 114847739) is 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline is CCNCc1ccc(Cl)cc1N(C)Cc1ccc(C)cc1.
What is the InChIKey of 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is IKUWEXXDTJCRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-4-20-12-16-9-10-17(19)11-18(16)21(3)13-15-7-5-14(2)6-8-15/h5-11,20H,4,12-13H2,1-3H3.
What are the key properties of 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline?
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline has a molecular weight of 302.85 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 114847739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).