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

C17H20BrNO2 — CID 62337254

IUPAC1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine
SMILESCCOc1cccc(OC(c2ccccc2Br)C(C)N)c1
InChIInChI=1S/C17H20BrNO2/c1-3-20-13-7-6-8-14(11-13)21-17(12(2)19)15-9-4-5-10-16(15)18/h4-12,17H,3,19H2,1-2H3
InChIKeyCAKROVYQBDTONU-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.32
Rot. Bonds6

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

1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine (PubChem CID 62337254) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine
PubChem CID62337254
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine
SMILESCCOc1cccc(OC(c2ccccc2Br)C(C)N)c1
InChIInChI=1S/C17H20BrNO2/c1-3-20-13-7-6-8-14(11-13)21-17(12(2)19)15-9-4-5-10-16(15)18/h4-12,17H,3,19H2,1-2H3
InChIKeyCAKROVYQBDTONU-UHFFFAOYSA-N
XLogP4.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62337853
1-(2-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55023034
1-(4-bromophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 55022646
1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine
CID 62337452
1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 83232003
1-(3-ethoxyphenoxy)-1-(3-fluorophenyl)propan-2-amine
CID 62338448
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 62338255
3-(3-ethoxyphenoxy)butan-1-amine
CID 112507822
2-[2-[2-amino-1-(2-bromophenyl)propoxy]phenyl]ethanol
CID 107712113
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
1-(2-bromophenyl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63459343

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine (CID 62337254) is 1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine is CCOc1cccc(OC(c2ccccc2Br)C(C)N)c1.
What is the InChIKey of 1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine?
The InChIKey is CAKROVYQBDTONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-3-20-13-7-6-8-14(11-13)21-17(12(2)19)15-9-4-5-10-16(15)18/h4-12,17H,3,19H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine?
1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine has a molecular weight of 350.26 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine is sourced from PubChem (CID 62337254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).