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

C18H22BrNO — CID 112539075

IUPAC2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cccc(CC(CN)c2ccccc2Br)c1
InChIInChI=1S/C18H22BrNO/c1-2-10-21-16-7-5-6-14(12-16)11-15(13-20)17-8-3-4-9-18(17)19/h3-9,12,15H,2,10-11,13,20H2,1H3
InChIKeyVVJIUGGRKOEPDR-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.52
Rot. Bonds7

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

2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine (PubChem CID 112539075) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine
PubChem CID112539075
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cccc(CC(CN)c2ccccc2Br)c1
InChIInChI=1S/C18H22BrNO/c1-2-10-21-16-7-5-6-14(12-16)11-15(13-20)17-8-3-4-9-18(17)19/h3-9,12,15H,2,10-11,13,20H2,1H3
InChIKeyVVJIUGGRKOEPDR-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-butoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974462
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975609
2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine
CID 83975343
2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine
CID 83976755
3-(3-butoxyphenyl)-2-thiophen-2-ylpropan-1-amine
CID 83975965
2-(2-bromophenyl)-5-phenoxypentan-1-amine
CID 79449306
3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 112538857
2-(2-bromophenyl)pentan-1-amine
CID 79449309
N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65384260
2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine
CID 79436772
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine (CID 112539075) is 2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine is CCCOc1cccc(CC(CN)c2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine?
The InChIKey is VVJIUGGRKOEPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-2-10-21-16-7-5-6-14(12-16)11-15(13-20)17-8-3-4-9-18(17)19/h3-9,12,15H,2,10-11,13,20H2,1H3.
What are the key properties of 2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine?
2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 112539075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).