3-(2-bromo-4-methoxyphenyl)propan-1-amine

C10H14BrNO — CID 82622371

IUPAC3-(2-bromo-4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CCCN)c(Br)c1
InChIInChI=1S/C10H14BrNO/c1-13-9-5-4-8(3-2-6-12)10(11)7-9/h4-5,7H,2-3,6,12H2,1H3
InChIKeyDJUIVVCSEWZILK-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.35
Rot. Bonds4

About 3-(2-bromo-4-methoxyphenyl)propan-1-amine

3-(2-bromo-4-methoxyphenyl)propan-1-amine (PubChem CID 82622371) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 3-(2-bromo-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-4-methoxyphenyl)propan-1-amine
PubChem CID82622371
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name3-(2-bromo-4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CCCN)c(Br)c1
InChIInChI=1S/C10H14BrNO/c1-13-9-5-4-8(3-2-6-12)10(11)7-9/h4-5,7H,2-3,6,12H2,1H3
InChIKeyDJUIVVCSEWZILK-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2-bromo-4-methoxyphenyl)propan-1-amine (CID 82622371) is 3-(2-bromo-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-bromo-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2-bromo-4-methoxyphenyl)propan-1-amine is COc1ccc(CCCN)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-methoxyphenyl)propan-1-amine?
The InChIKey is DJUIVVCSEWZILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-13-9-5-4-8(3-2-6-12)10(11)7-9/h4-5,7H,2-3,6,12H2,1H3.
What are the key properties of 3-(2-bromo-4-methoxyphenyl)propan-1-amine?
3-(2-bromo-4-methoxyphenyl)propan-1-amine has a molecular weight of 244.13 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 82622371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).