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

C16H18BrNO — CID 61261607

IUPAC1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(N)Cc1ccccc1Br
InChIInChI=1S/C16H18BrNO/c1-19-16-9-5-3-7-13(16)11-14(18)10-12-6-2-4-8-15(12)17/h2-9,14H,10-11,18H2,1H3
InChIKeyOWNYCVSSVRSFSP-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.57
Rot. Bonds5

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

1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine (PubChem CID 61261607) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
PubChem CID61261607
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(N)Cc1ccccc1Br
InChIInChI=1S/C16H18BrNO/c1-19-16-9-5-3-7-13(16)11-14(18)10-12-6-2-4-8-15(12)17/h2-9,14H,10-11,18H2,1H3
InChIKeyOWNYCVSSVRSFSP-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-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261796
1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602156
4-(2-methoxyphenyl)butane-1,3-diamine
CID 154072972
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543875
1-(furan-3-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 83174719
1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 65017713
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
[[1-amino-2-(2-methoxyphenyl)ethyl]amino] 2-bromobenzoate
CID 23308770

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine (CID 61261607) is 1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(N)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine?
The InChIKey is OWNYCVSSVRSFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-19-16-9-5-3-7-13(16)11-14(18)10-12-6-2-4-8-15(12)17/h2-9,14H,10-11,18H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine?
1-(2-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-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 61261607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).