3-(2-bromophenoxy)-2-phenylpropan-1-amine

C15H16BrNO — CID 117242959

IUPAC3-(2-bromophenoxy)-2-phenylpropan-1-amine
SMILESNCC(COc1ccccc1Br)c1ccccc1
InChIInChI=1S/C15H16BrNO/c16-14-8-4-5-9-15(14)18-11-13(10-17)12-6-2-1-3-7-12/h1-9,13H,10-11,17H2
InChIKeyMFYHRQNVPKNYIR-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.57
Rot. Bonds5

About 3-(2-bromophenoxy)-2-phenylpropan-1-amine

3-(2-bromophenoxy)-2-phenylpropan-1-amine (PubChem CID 117242959) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 3-(2-bromophenoxy)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenoxy)-2-phenylpropan-1-amine
PubChem CID117242959
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name3-(2-bromophenoxy)-2-phenylpropan-1-amine
SMILESNCC(COc1ccccc1Br)c1ccccc1
InChIInChI=1S/C15H16BrNO/c16-14-8-4-5-9-15(14)18-11-13(10-17)12-6-2-1-3-7-12/h1-9,13H,10-11,17H2
InChIKeyMFYHRQNVPKNYIR-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylphenoxy)-2-phenylpropan-1-amine
CID 112516482
2-[(2-bromophenoxy)methyl]pentan-1-amine
CID 117241854
2-[3-amino-2-(4-hydroxyphenyl)propoxy]phenol
CID 117244893
(2-bromophenoxy)methanamine
CID 57278354
3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine
CID 174662912
2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene
CID 65015891
3-methoxy-2-phenylpropan-1-amine
CID 66968828
3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine
CID 82160440
2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol
CID 117243012
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
1-bromo-2-(2-chloropropoxy)benzene
CID 22752746
2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol
CID 117244895

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenoxy)-2-phenylpropan-1-amine?
The IUPAC name of 3-(2-bromophenoxy)-2-phenylpropan-1-amine (CID 117242959) is 3-(2-bromophenoxy)-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-bromophenoxy)-2-phenylpropan-1-amine?
The canonical SMILES for 3-(2-bromophenoxy)-2-phenylpropan-1-amine is NCC(COc1ccccc1Br)c1ccccc1.
What is the InChIKey of 3-(2-bromophenoxy)-2-phenylpropan-1-amine?
The InChIKey is MFYHRQNVPKNYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-14-8-4-5-9-15(14)18-11-13(10-17)12-6-2-1-3-7-12/h1-9,13H,10-11,17H2.
What are the key properties of 3-(2-bromophenoxy)-2-phenylpropan-1-amine?
3-(2-bromophenoxy)-2-phenylpropan-1-amine has a molecular weight of 306.20 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenoxy)-2-phenylpropan-1-amine is sourced from PubChem (CID 117242959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).