1-(4-chloro-3-methylphenyl)-N-ethylethanamine

C11H16ClN — CID 115781009

IUPAC1-(4-chloro-3-methylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(Cl)c(C)c1
InChIInChI=1S/C11H16ClN/c1-4-13-9(3)10-5-6-11(12)8(2)7-10/h5-7,9,13H,4H2,1-3H3
InChIKeyPPBDMMZOTBZRAM-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.32
Rot. Bonds3

About 1-(4-chloro-3-methylphenyl)-N-ethylethanamine

1-(4-chloro-3-methylphenyl)-N-ethylethanamine (PubChem CID 115781009) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-N-ethylethanamine
PubChem CID115781009
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1-(4-chloro-3-methylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(Cl)c(C)c1
InChIInChI=1S/C11H16ClN/c1-4-13-9(3)10-5-6-11(12)8(2)7-10/h5-7,9,13H,4H2,1-3H3
InChIKeyPPBDMMZOTBZRAM-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine
CID 115484394
1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533186
1-(3-chloro-4-propan-2-ylsulfanylphenyl)-N-ethylethanamine
CID 62912102
N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine
CID 114978573
1-(4-chloro-3-methylphenyl)-N-ethyloctan-1-amine
CID 115832279
1-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]-N-ethylethanamine
CID 63533933
N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine
CID 115792045
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050433
1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840151
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 63533910

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-N-ethylethanamine (CID 115781009) is 1-(4-chloro-3-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-N-ethylethanamine is CCNC(C)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-N-ethylethanamine?
The InChIKey is PPBDMMZOTBZRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-4-13-9(3)10-5-6-11(12)8(2)7-10/h5-7,9,13H,4H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-N-ethylethanamine?
1-(4-chloro-3-methylphenyl)-N-ethylethanamine has a molecular weight of 197.71 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 115781009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).