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

C16H18BrNO — CID 61261796

IUPAC1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(N)Cc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-19-16-8-3-2-6-13(16)11-15(18)10-12-5-4-7-14(17)9-12/h2-9,15H,10-11,18H2,1H3
InChIKeyUHLJCMDNGUDOEH-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.57
Rot. Bonds5

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

1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine (PubChem CID 61261796) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
PubChem CID61261796
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(N)Cc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-19-16-8-3-2-6-13(16)11-15(18)10-12-5-4-7-14(17)9-12/h2-9,15H,10-11,18H2,1H3
InChIKeyUHLJCMDNGUDOEH-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602156
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene
CID 55225417
[[1-amino-2-(2-methoxyphenyl)ethyl]amino] 3-bromobenzoate
CID 23308745
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 103039879
2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
CID 79443596
1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
CID 102618465
1-(furan-3-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 83174719
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
1-bromo-3-[1-bromo-3-(2-methoxyphenyl)propan-2-yl]benzene
CID 79431763
4-bromo-2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1-methoxybenzene
CID 66041326

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine (CID 61261796) is 1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(N)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine?
The InChIKey is UHLJCMDNGUDOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-19-16-8-3-2-6-13(16)11-15(18)10-12-5-4-7-14(17)9-12/h2-9,15H,10-11,18H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine?
1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine has a molecular weight of 320.23 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 1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 61261796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).