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

C18H23ClN2 — CID 114848763

IUPAC5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
SMILESCCNCc1ccc(Cl)cc1N(C)Cc1ccccc1C
InChIInChI=1S/C18H23ClN2/c1-4-20-12-15-9-10-17(19)11-18(15)21(3)13-16-8-6-5-7-14(16)2/h5-11,20H,4,12-13H2,1-3H3
InChIKeyIPIRCKSCDZZCQZ-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.39
Rot. Bonds6

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

5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline (PubChem CID 114848763) 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-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
PubChem CID114848763
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
SMILESCCNCc1ccc(Cl)cc1N(C)Cc1ccccc1C
InChIInChI=1S/C18H23ClN2/c1-4-20-12-15-9-10-17(19)11-18(15)21(3)13-16-8-6-5-7-14(16)2/h5-11,20H,4,12-13H2,1-3H3
InChIKeyIPIRCKSCDZZCQZ-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-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 63551348
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 114847739
5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848350
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
CID 61416767
3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine
CID 81246615
5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline
CID 114850518
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852
3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 62289541
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 114848876
2-N-[5-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190004
5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114848202

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline (CID 114848763) is 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline is CCNCc1ccc(Cl)cc1N(C)Cc1ccccc1C.
What is the InChIKey of 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is IPIRCKSCDZZCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-4-20-12-15-9-10-17(19)11-18(15)21(3)13-16-8-6-5-7-14(16)2/h5-11,20H,4,12-13H2,1-3H3.
What are the key properties of 5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline?
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-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-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 114848763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).