4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline

C18H23ClN2 — CID 114848692

IUPAC4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline
SMILESCCNCc1cc(Cl)ccc1N(CC)c1cccc(C)c1
InChIInChI=1S/C18H23ClN2/c1-4-20-13-15-12-16(19)9-10-18(15)21(5-2)17-8-6-7-14(3)11-17/h6-12,20H,4-5,13H2,1-3H3
InChIKeyWPIRQTFRRXZZRM-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.92
Rot. Bonds6

About 4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline

4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline (PubChem CID 114848692) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline
PubChem CID114848692
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline
SMILESCCNCc1cc(Cl)ccc1N(CC)c1cccc(C)c1
InChIInChI=1S/C18H23ClN2/c1-4-20-13-15-12-16(19)9-10-18(15)21(5-2)17-8-6-7-14(3)11-17/h6-12,20H,4-5,13H2,1-3H3
InChIKeyWPIRQTFRRXZZRM-UHFFFAOYSA-N
XLogP4.92
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 ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-2-(N-ethyl-3-methylanilino)phenyl]methanol
CID 114845295
4-chloro-2-(chloromethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 114846438
N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline
CID 63550597
4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline
CID 114847374
5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide
CID 62493758
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
[5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol
CID 114845519
4-chloro-N-methyl-N-(3-methylphenyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114850493
5-chloro-N-methyl-N-(3-methylphenyl)-2-(propylaminomethyl)aniline
CID 114850483
2-(bromomethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 107080798
2-(N-ethyl-3-methylanilino)-5-methylbenzaldehyde
CID 114054158
ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
CID 142266780

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline?
The IUPAC name of 4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline (CID 114848692) is 4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline.
What is the SMILES notation for 4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline?
The canonical SMILES for 4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline is CCNCc1cc(Cl)ccc1N(CC)c1cccc(C)c1.
What is the InChIKey of 4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline?
The InChIKey is WPIRQTFRRXZZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-4-20-13-15-12-16(19)9-10-18(15)21(5-2)17-8-6-7-14(3)11-17/h6-12,20H,4-5,13H2,1-3H3.
What are the key properties of 4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline?
4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline has a molecular weight of 302.85 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline is sourced from PubChem (CID 114848692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).