3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine

C17H20ClNO — CID 83973269

IUPAC3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine
SMILESCCOc1cccc(C(CN)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClNO/c1-2-20-17-8-4-6-14(11-17)15(12-19)9-13-5-3-7-16(18)10-13/h3-8,10-11,15H,2,9,12,19H2,1H3
InChIKeyOSOWBCVGIZMOGJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.02
Rot. Bonds6

About 3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine

3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine (PubChem CID 83973269) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine
PubChem CID83973269
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine
SMILESCCOc1cccc(C(CN)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClNO/c1-2-20-17-8-4-6-14(11-17)15(12-19)9-13-5-3-7-16(18)10-13/h3-8,10-11,15H,2,9,12,19H2,1H3
InChIKeyOSOWBCVGIZMOGJ-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 112538857
2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine
CID 83975343
2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
CID 60818609
2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine
CID 83973282
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
3-(3-chlorophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974508
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590
3-(3-chlorophenyl)-2-pyridin-3-ylpropan-1-amine
CID 83825270
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248
2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine
CID 20546345
3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973334
4-(3-chlorophenoxy)-2-phenylbutan-1-amine
CID 82138848

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine (CID 83973269) is 3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine is CCOc1cccc(C(CN)Cc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine?
The InChIKey is OSOWBCVGIZMOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-20-17-8-4-6-14(11-17)15(12-19)9-13-5-3-7-16(18)10-13/h3-8,10-11,15H,2,9,12,19H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine?
3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83973269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).