2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine

C17H20BrNO — CID 79442687

IUPAC2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine
SMILESCOc1ccc(C)cc1CC(CN)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO/c1-12-6-7-17(20-2)14(8-12)9-15(11-19)13-4-3-5-16(18)10-13/h3-8,10,15H,9,11,19H2,1-2H3
InChIKeyRBBQLYYYRNTQBL-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.05
Rot. Bonds5

About 2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine

2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine (PubChem CID 79442687) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine
PubChem CID79442687
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine
SMILESCOc1ccc(C)cc1CC(CN)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO/c1-12-6-7-17(20-2)14(8-12)9-15(11-19)13-4-3-5-16(18)10-13/h3-8,10,15H,9,11,19H2,1-2H3
InChIKeyRBBQLYYYRNTQBL-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
CID 79443596
2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine
CID 79442545
1-bromo-3-[1-bromo-3-(2-methoxyphenyl)propan-2-yl]benzene
CID 79431763
3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 112538811
[2-(5-bromo-2-methoxyphenyl)-1-(3-bromophenyl)ethyl]hydrazine
CID 105198026
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789
3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974607
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019
3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79416738
1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene
CID 55225417
3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
CID 66060063
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine (CID 79442687) is 2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine is COc1ccc(C)cc1CC(CN)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine?
The InChIKey is RBBQLYYYRNTQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12-6-7-17(20-2)14(8-12)9-15(11-19)13-4-3-5-16(18)10-13/h3-8,10,15H,9,11,19H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine?
2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 79442687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).