4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline

C17H21ClN2 — CID 63532852

IUPAC4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline
SMILESCCc1ccc(N(C)c2ccc(C(C)N)cc2Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-4-13-5-8-15(9-6-13)20(3)17-10-7-14(12(2)19)11-16(17)18/h5-12H,4,19H2,1-3H3
InChIKeyJGFVDZULFRBQMR-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.69
Rot. Bonds4

About 4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline

4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline (PubChem CID 63532852) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline
PubChem CID63532852
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline
SMILESCCc1ccc(N(C)c2ccc(C(C)N)cc2Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-4-13-5-8-15(9-6-13)20(3)17-10-7-14(12(2)19)11-16(17)18/h5-12H,4,19H2,1-3H3
InChIKeyJGFVDZULFRBQMR-UHFFFAOYSA-N
XLogP4.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 55131699
[3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol
CID 81151814
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 78935511
1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 115649377
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 78935962
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 78935650
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63982369
4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline
CID 63368308
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylphenyl)aniline
CID 55190487
4-[(1R)-1-aminoethyl]-2-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63369536
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
N'-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 78948201

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline?
The IUPAC name of 4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline (CID 63532852) is 4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline?
The canonical SMILES for 4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline is CCc1ccc(N(C)c2ccc(C(C)N)cc2Cl)cc1.
What is the InChIKey of 4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline?
The InChIKey is JGFVDZULFRBQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-4-13-5-8-15(9-6-13)20(3)17-10-7-14(12(2)19)11-16(17)18/h5-12H,4,19H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline?
4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline has a molecular weight of 288.82 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline is sourced from PubChem (CID 63532852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).