[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine

C14H20BrNO — CID 117480546

IUPAC[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(C(C)C)cc(C2(CN)CC2)c1Br
InChIInChI=1S/C14H20BrNO/c1-9(2)10-6-11(14(8-16)4-5-14)13(15)12(7-10)17-3/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyMAMCDYQNKXTXIL-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.57
Rot. Bonds4

About [1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine

[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine (PubChem CID 117480546) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is [1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine
PubChem CID117480546
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(C(C)C)cc(C2(CN)CC2)c1Br
InChIInChI=1S/C14H20BrNO/c1-9(2)10-6-11(14(8-16)4-5-14)13(15)12(7-10)17-3/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyMAMCDYQNKXTXIL-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117497496
2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol
CID 117444900
[1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 117428385
[1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
CID 117483371
2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol
CID 117432605
1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine
CID 117461403
1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
CID 117342983
[1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117408720
[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine
CID 117426647
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117415098

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine (CID 117480546) is [1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine is COc1cc(C(C)C)cc(C2(CN)CC2)c1Br.
What is the InChIKey of [1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine?
The InChIKey is MAMCDYQNKXTXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9(2)10-6-11(14(8-16)4-5-14)13(15)12(7-10)17-3/h6-7,9H,4-5,8,16H2,1-3H3.
What are the key properties of [1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine?
[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine has a molecular weight of 298.22 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117480546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).