3-(5-bromo-2-methylphenoxy)propan-1-amine

C10H14BrNO — CID 82648257

IUPAC3-(5-bromo-2-methylphenoxy)propan-1-amine
SMILESCc1ccc(Br)cc1OCCCN
InChIInChI=1S/C10H14BrNO/c1-8-3-4-9(11)7-10(8)13-6-2-5-12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyVGALDSVJXZYLTO-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.49
Rot. Bonds4

About 3-(5-bromo-2-methylphenoxy)propan-1-amine

3-(5-bromo-2-methylphenoxy)propan-1-amine (PubChem CID 82648257) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 3-(5-bromo-2-methylphenoxy)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-methylphenoxy)propan-1-amine
PubChem CID82648257
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name3-(5-bromo-2-methylphenoxy)propan-1-amine
SMILESCc1ccc(Br)cc1OCCCN
InChIInChI=1S/C10H14BrNO/c1-8-3-4-9(11)7-10(8)13-6-2-5-12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyVGALDSVJXZYLTO-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-2-methylphenoxy)butan-1-amine
CID 107283575
4-bromo-2-hexoxy-1-methylbenzene
CID 59244054
4-bromo-2-(2-chloroethoxy)-1-methylbenzene
CID 107283647
5-(5-bromo-2-methylphenoxy)pentane-1-thiol
CID 107287321
5-(5-bromo-2-methylphenoxy)pentanethioamide
CID 107283880
4-bromo-2-(3,3-dimethylbutoxy)-1-methylbenzene
CID 107283981
4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline
CID 107286344
N-[2-(5-bromo-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 107286415
4-bromo-1-methyl-2-[2-(trifluoromethoxy)ethoxy]benzene
CID 107284110
4-bromo-2-(2-ethylsulfanylethoxy)-1-methylbenzene
CID 107284056
2-(2-azidoethoxy)-4-bromo-1-methylbenzene
CID 107285403
4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene
CID 107284054

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylphenoxy)propan-1-amine?
The IUPAC name of 3-(5-bromo-2-methylphenoxy)propan-1-amine (CID 82648257) is 3-(5-bromo-2-methylphenoxy)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-methylphenoxy)propan-1-amine?
The canonical SMILES for 3-(5-bromo-2-methylphenoxy)propan-1-amine is Cc1ccc(Br)cc1OCCCN.
What is the InChIKey of 3-(5-bromo-2-methylphenoxy)propan-1-amine?
The InChIKey is VGALDSVJXZYLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-8-3-4-9(11)7-10(8)13-6-2-5-12/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 3-(5-bromo-2-methylphenoxy)propan-1-amine?
3-(5-bromo-2-methylphenoxy)propan-1-amine has a molecular weight of 244.13 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methylphenoxy)propan-1-amine is sourced from PubChem (CID 82648257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).