1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine

C15H23NO — CID 117339161

IUPAC1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(C2(C(C)N)CC2)ccc1C(C)C
InChIInChI=1S/C15H23NO/c1-10(2)13-6-5-12(9-14(13)17-4)15(7-8-15)11(3)16/h5-6,9-11H,7-8,16H2,1-4H3
InChIKeyBYSUXBFRDZPUMQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.20
Rot. Bonds4

About 1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine

1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine (PubChem CID 117339161) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine
PubChem CID117339161
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(C2(C(C)N)CC2)ccc1C(C)C
InChIInChI=1S/C15H23NO/c1-10(2)13-6-5-12(9-14(13)17-4)15(7-8-15)11(3)16/h5-6,9-11H,7-8,16H2,1-4H3
InChIKeyBYSUXBFRDZPUMQ-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine
CID 117355047
1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117343261
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117489876
1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117436696
4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol
CID 117323546
1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117410626
1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine
CID 117377665
tert-butyl N-[5-[1-(1-aminoethyl)cyclopropyl]-2-methoxyphenyl]carbamate
CID 117491724
1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine
CID 131471469
1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine
CID 117358111

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine (CID 117339161) is 1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine is COc1cc(C2(C(C)N)CC2)ccc1C(C)C.
What is the InChIKey of 1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine?
The InChIKey is BYSUXBFRDZPUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)13-6-5-12(9-14(13)17-4)15(7-8-15)11(3)16/h5-6,9-11H,7-8,16H2,1-4H3.
What are the key properties of 1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine?
1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117339161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).