3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine

C13H18BrNO2 — CID 117483705

IUPAC3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine
SMILESCOc1cc(Br)cc(CCCN)c1OC1CC1
InChIInChI=1S/C13H18BrNO2/c1-16-12-8-10(14)7-9(3-2-6-15)13(12)17-11-4-5-11/h7-8,11H,2-6,15H2,1H3
InChIKeyORIBXWGHGAFMKI-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.89
Rot. Bonds6

About 3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine

3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine (PubChem CID 117483705) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine
PubChem CID117483705
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine
SMILESCOc1cc(Br)cc(CCCN)c1OC1CC1
InChIInChI=1S/C13H18BrNO2/c1-16-12-8-10(14)7-9(3-2-6-15)13(12)17-11-4-5-11/h7-8,11H,2-6,15H2,1H3
InChIKeyORIBXWGHGAFMKI-UHFFFAOYSA-N
XLogP2.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine
CID 117486423
4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine
CID 117386233
3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine
CID 117428416
3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499889
[1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 117497040
4-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117480540
3-[3-methoxy-2-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451966
2-amino-1-(5-bromo-2-cyclobutyloxy-3-methoxyphenyl)ethanone
CID 117499384
5-bromo-2-cyclobutyloxy-3-methoxyphenol
CID 84713521
3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine
CID 117298784
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine
CID 117483716
3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)butanal
CID 117498254

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine (CID 117483705) is 3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine is COc1cc(Br)cc(CCCN)c1OC1CC1.
What is the InChIKey of 3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine?
The InChIKey is ORIBXWGHGAFMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-16-12-8-10(14)7-9(3-2-6-15)13(12)17-11-4-5-11/h7-8,11H,2-6,15H2,1H3.
What are the key properties of 3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine?
3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine has a molecular weight of 300.20 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 117483705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).