2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine

C13H18BrNO2 — CID 117483716

IUPAC2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine
SMILESCOc1cc(C(C)CN)cc(Br)c1OC1CC1
InChIInChI=1S/C13H18BrNO2/c1-8(7-15)9-5-11(14)13(12(6-9)16-2)17-10-3-4-10/h5-6,8,10H,3-4,7,15H2,1-2H3
InChIKeyUECKDZZPCPPOBU-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.06
Rot. Bonds5

About 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine

2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine (PubChem CID 117483716) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine
PubChem CID117483716
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine
SMILESCOc1cc(C(C)CN)cc(Br)c1OC1CC1
InChIInChI=1S/C13H18BrNO2/c1-8(7-15)9-5-11(14)13(12(6-9)16-2)17-10-3-4-10/h5-6,8,10H,3-4,7,15H2,1-2H3
InChIKeyUECKDZZPCPPOBU-UHFFFAOYSA-N
XLogP3.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol
CID 117485134
2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
CID 117299386
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499903
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117499689
2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol
CID 117397818
1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine
CID 170894695
2-[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117496682
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451975
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine
CID 84815906
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
CID 117465253
3-(3-bromo-4,5-dimethoxyphenyl)butanal
CID 117462993

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine (CID 117483716) is 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine is COc1cc(C(C)CN)cc(Br)c1OC1CC1.
What is the InChIKey of 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine?
The InChIKey is UECKDZZPCPPOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-8(7-15)9-5-11(14)13(12(6-9)16-2)17-10-3-4-10/h5-6,8,10H,3-4,7,15H2,1-2H3.
What are the key properties of 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine?
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine has a molecular weight of 300.20 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 117483716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).