1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine

C16H18BrNO — CID 83133006

IUPAC1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine
SMILESCc1cc(OC(c2ccccc2)C(C)N)ccc1Br
InChIInChI=1S/C16H18BrNO/c1-11-10-14(8-9-15(11)17)19-16(12(2)18)13-6-4-3-5-7-13/h3-10,12,16H,18H2,1-2H3
InChIKeyVQFKRILGSOLACH-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.22
Rot. Bonds4

About 1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine

1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine (PubChem CID 83133006) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine
PubChem CID83133006
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine
SMILESCc1cc(OC(c2ccccc2)C(C)N)ccc1Br
InChIInChI=1S/C16H18BrNO/c1-11-10-14(8-9-15(11)17)19-16(12(2)18)13-6-4-3-5-7-13/h3-10,12,16H,18H2,1-2H3
InChIKeyVQFKRILGSOLACH-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine
CID 104706737
2-(4-bromo-3-methylphenoxy)-2-phenylacetic acid
CID 20994318
1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine
CID 63459943
1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine
CID 107663944
1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 83135800
N-[2-(4-bromo-3-methylphenoxy)propyl]aniline
CID 83140021
2-(4-bromo-3-methylphenoxy)propanamide
CID 81302434
1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020131
2-methyl-4-[(1S)-1-phenylethoxy]aniline
CID 51684094
1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 83133333
1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 83134104
1-(4-chlorophenyl)-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168655

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine?
The IUPAC name of 1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine (CID 83133006) is 1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine is Cc1cc(OC(c2ccccc2)C(C)N)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine?
The InChIKey is VQFKRILGSOLACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-10-14(8-9-15(11)17)19-16(12(2)18)13-6-4-3-5-7-13/h3-10,12,16H,18H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine?
1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine has a molecular weight of 320.23 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine is sourced from PubChem (CID 83133006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).