3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine

C18H22ClNO — CID 116773119

IUPAC3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine
SMILESCCNC(Cc1cccc(Cl)c1)C(OC)c1ccccc1
InChIInChI=1S/C18H22ClNO/c1-3-20-17(13-14-8-7-11-16(19)12-14)18(21-2)15-9-5-4-6-10-15/h4-12,17-18,20H,3,13H2,1-2H3
InChIKeyQSLFLKHMQPUZKS-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.25
Rot. Bonds7

About 3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine

3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine (PubChem CID 116773119) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine
PubChem CID116773119
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine
SMILESCCNC(Cc1cccc(Cl)c1)C(OC)c1ccccc1
InChIInChI=1S/C18H22ClNO/c1-3-20-17(13-14-8-7-11-16(19)12-14)18(21-2)15-9-5-4-6-10-15/h4-12,17-18,20H,3,13H2,1-2H3
InChIKeyQSLFLKHMQPUZKS-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3-chlorophenyl)-1-ethoxy-1-phenylpropan-2-yl]hydrazine
CID 105279369
N-ethyl-1-methoxy-1-phenyl-3-thiophen-3-ylpropan-2-amine
CID 116773126
3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine
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1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718090
[1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247122
1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine
CID 115788902
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772654
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 63412084
2-(3-chlorophenyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 63412584

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine (CID 116773119) is 3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine is CCNC(Cc1cccc(Cl)c1)C(OC)c1ccccc1.
What is the InChIKey of 3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine?
The InChIKey is QSLFLKHMQPUZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-20-17(13-14-8-7-11-16(19)12-14)18(21-2)15-9-5-4-6-10-15/h4-12,17-18,20H,3,13H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine?
3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine is sourced from PubChem (CID 116773119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).