3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine

C11H16BrNO — CID 117398523

IUPAC3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine
SMILESCOc1cc(CCCN)cc(Br)c1C
InChIInChI=1S/C11H16BrNO/c1-8-10(12)6-9(4-3-5-13)7-11(8)14-2/h6-7H,3-5,13H2,1-2H3
InChIKeyFKNGNGMRXLBHPL-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.66
Rot. Bonds4

About 3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine

3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine (PubChem CID 117398523) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine
PubChem CID117398523
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine
SMILESCOc1cc(CCCN)cc(Br)c1C
InChIInChI=1S/C11H16BrNO/c1-8-10(12)6-9(4-3-5-13)7-11(8)14-2/h6-7H,3-5,13H2,1-2H3
InChIKeyFKNGNGMRXLBHPL-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
CID 83477684
4-(3-chloro-5-methoxy-4-methylphenyl)butan-1-amine
CID 117328078
4-(3-bromo-4-methoxy-5-methylphenyl)butan-1-amine
CID 117433058
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 82161696
3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride
CID 10390646
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 82186047
2-[3-bromo-4-(3-fluoropropoxy)-5-methoxyphenyl]ethanamine
CID 81114019
4-(6-bromo-3,4-dimethoxy-2-methylphenyl)butan-1-amine
CID 117486751
3-(3,5-difluoro-4-methylphenyl)propan-1-amine
CID 117280226
2-[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 54931058

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine (CID 117398523) is 3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine is COc1cc(CCCN)cc(Br)c1C.
What is the InChIKey of 3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine?
The InChIKey is FKNGNGMRXLBHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8-10(12)6-9(4-3-5-13)7-11(8)14-2/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine?
3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine has a molecular weight of 258.16 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine is sourced from PubChem (CID 117398523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).