2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine

C15H16BrNO — CID 60798720

IUPAC2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO/c1-18-14-7-5-12(6-8-14)15(17)10-11-3-2-4-13(16)9-11/h2-9,15H,10,17H2,1H3
InChIKeyIPSGGFZPXCHYSF-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.70
Rot. Bonds4

About 2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine

2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 60798720) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
PubChem CID60798720
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO/c1-18-14-7-5-12(6-8-14)15(17)10-11-3-2-4-13(16)9-11/h2-9,15H,10,17H2,1H3
InChIKeyIPSGGFZPXCHYSF-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
CID 115354107
2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
2-(3-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43095852
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
CID 62796466
1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
CID 115354108
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine (CID 60798720) is 2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)Cc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is IPSGGFZPXCHYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-18-14-7-5-12(6-8-14)15(17)10-11-3-2-4-13(16)9-11/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine?
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 306.20 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 60798720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).