1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine

C18H22ClNO — CID 63528444

IUPAC1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccccc1OC)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-4-20-17(14-10-9-13(2)16(19)11-14)12-15-7-5-6-8-18(15)21-3/h5-11,17,20H,4,12H2,1-3H3
InChIKeyGPUKXKQRRSFCHZ-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.55
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine

1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine (PubChem CID 63528444) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
PubChem CID63528444
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccccc1OC)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-4-20-17(14-10-9-13(2)16(19)11-14)12-15-7-5-6-8-18(15)21-3/h5-11,17,20H,4,12H2,1-3H3
InChIKeyGPUKXKQRRSFCHZ-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 55162570
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707
N-ethyl-1-(4-methoxy-3-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 43493617
2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115787144
N-ethyl-2-(2-methoxyphenyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106754986
2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105055513
2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115843296
1-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826763
1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 80531281
1-(5-chlorofuran-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 106687833
2-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414164
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63195285

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine (CID 63528444) is 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine is CCNC(Cc1ccccc1OC)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The InChIKey is GPUKXKQRRSFCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-20-17(14-10-9-13(2)16(19)11-14)12-15-7-5-6-8-18(15)21-3/h5-11,17,20H,4,12H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 63528444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).