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

C17H20BrNO — CID 83975343

IUPAC2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine
SMILESCCOc1cccc(CC(CN)c2cccc(Br)c2)c1
InChIInChI=1S/C17H20BrNO/c1-2-20-17-8-3-5-13(10-17)9-15(12-19)14-6-4-7-16(18)11-14/h3-8,10-11,15H,2,9,12,19H2,1H3
InChIKeyTWHZGTAHXYIEPA-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.13
Rot. Bonds6

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

2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine (PubChem CID 83975343) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine
PubChem CID83975343
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine
SMILESCCOc1cccc(CC(CN)c2cccc(Br)c2)c1
InChIInChI=1S/C17H20BrNO/c1-2-20-17-8-3-5-13(10-17)9-15(12-19)14-6-4-7-16(18)11-14/h3-8,10-11,15H,2,9,12,19H2,1H3
InChIKeyTWHZGTAHXYIEPA-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.13
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
3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973269
2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
CID 60798972
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
(1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 81382438
2-(3-ethoxyphenyl)-3-(4-pentoxyphenyl)propan-1-amine
CID 83973282
2-(3-bromophenyl)-4-phenoxybutan-1-amine
CID 79442992
3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 112538959
2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 112539075
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590
2-(4-ethoxy-3-fluorophenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 83973555
1-bromo-3-ethoxybenzene;ethane
CID 143900364

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine (CID 83975343) is 2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine is CCOc1cccc(CC(CN)c2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine?
The InChIKey is TWHZGTAHXYIEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-2-20-17-8-3-5-13(10-17)9-15(12-19)14-6-4-7-16(18)11-14/h3-8,10-11,15H,2,9,12,19H2,1H3.
What are the key properties of 2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine?
2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83975343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).