2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline

C18H23ClN2 — CID 63534015

IUPAC2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline
SMILESCCNC(C)c1ccc(N(C)c2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C18H23ClN2/c1-5-20-14(3)15-8-11-18(17(19)12-15)21(4)16-9-6-13(2)7-10-16/h6-12,14,20H,5H2,1-4H3
InChIKeyKBAOTNLLCVODHW-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.09
Rot. Bonds5

About 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline

2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline (PubChem CID 63534015) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline
PubChem CID63534015
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline
SMILESCCNC(C)c1ccc(N(C)c2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C18H23ClN2/c1-5-20-14(3)15-8-11-18(17(19)12-15)21(4)16-9-6-13(2)7-10-16/h6-12,14,20H,5H2,1-4H3
InChIKeyKBAOTNLLCVODHW-UHFFFAOYSA-N
XLogP5.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 55225305
2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 63533729
2-chloro-N-(3,3-dimethylbutan-2-yl)-4-[1-(ethylamino)ethyl]-N-methylaniline
CID 63533449
2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112660620
N-[4-[1-(ethylamino)ethyl]phenyl]-N,3,5-trimethylaniline
CID 63533292
N,N-dibutyl-2-chloro-4-[1-(ethylamino)ethyl]aniline
CID 63532224
1-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]-N-ethylethanamine
CID 63533933
2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline
CID 63533725
2-chloro-N-(cyclobutylmethyl)-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 107399202
1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 115781009
4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline
CID 63532852
2-chloro-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 62908849

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline (CID 63534015) is 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline is CCNC(C)c1ccc(N(C)c2ccc(C)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline?
The InChIKey is KBAOTNLLCVODHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-5-20-14(3)15-8-11-18(17(19)12-15)21(4)16-9-6-13(2)7-10-16/h6-12,14,20H,5H2,1-4H3.
What are the key properties of 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline?
2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline has a molecular weight of 302.85 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 63534015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).