1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine

C18H22ClNO — CID 43488978

IUPAC1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-3-20-18(15-7-9-16(19)10-8-15)13-6-14-4-11-17(21-2)12-5-14/h4-5,7-12,18,20H,3,6,13H2,1-2H3
InChIKeyHZOKNZDDNSKMJE-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.63
Rot. Bonds7

About 1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine

1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 43488978) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
PubChem CID43488978
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-3-20-18(15-7-9-16(19)10-8-15)13-6-14-4-11-17(21-2)12-5-14/h4-5,7-12,18,20H,3,6,13H2,1-2H3
InChIKeyHZOKNZDDNSKMJE-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide
CID 140528978
N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115864765
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
N-ethyl-3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-amine
CID 65444570
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
CID 64567410
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine
CID 104804297
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 114855165
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
N-ethyl-3-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 60996666
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 115861589

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine (CID 43488978) is 1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine is CCNC(CCc1ccc(OC)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is HZOKNZDDNSKMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-20-18(15-7-9-16(19)10-8-15)13-6-14-4-11-17(21-2)12-5-14/h4-5,7-12,18,20H,3,6,13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine?
1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 43488978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).