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

C16H18BrNO — CID 60797838

IUPAC1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(C(C)(N)Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H18BrNO/c1-16(18,11-12-5-3-7-14(17)9-12)13-6-4-8-15(10-13)19-2/h3-10H,11,18H2,1-2H3
InChIKeyBFDIXRCTDSYRKH-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.87
Rot. Bonds4

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

1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine (PubChem CID 60797838) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine
PubChem CID60797838
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(C(C)(N)Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H18BrNO/c1-16(18,11-12-5-3-7-14(17)9-12)13-6-4-8-15(10-13)19-2/h3-10H,11,18H2,1-2H3
InChIKeyBFDIXRCTDSYRKH-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)hexan-2-amine
CID 62620704
(3S)-3-amino-3-(3-methoxyphenyl)butanenitrile
CID 130657362
1-[3-(2-amino-2-phenylpropyl)phenyl]-2-phenylpropan-2-amine
CID 175440072
1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine
CID 61496061
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
2-(3-methoxyphenyl)-4-methylhexan-2-amine
CID 62622006
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine
CID 79702014
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
2-(3-methoxyphenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64771886
1-(3-bromophenyl)-2,2,3,3,3-pentafluoro-1-(3-methoxyphenyl)propan-1-ol
CID 162511470
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine (CID 60797838) is 1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine is COc1cccc(C(C)(N)Cc2cccc(Br)c2)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine?
The InChIKey is BFDIXRCTDSYRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-16(18,11-12-5-3-7-14(17)9-12)13-6-4-8-15(10-13)19-2/h3-10H,11,18H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine?
1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine has a molecular weight of 320.23 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 60797838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).