1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine

C17H27NO — CID 117408617

IUPAC1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine
SMILESCOc1c(C(C)(C)C)cc(C)cc1C1(C(C)N)CC1
InChIInChI=1S/C17H27NO/c1-11-9-13(16(3,4)5)15(19-6)14(10-11)17(7-8-17)12(2)18/h9-10,12H,7-8,18H2,1-6H3
InChIKeyDAZCWTRYWVAMIS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.68
Rot. Bonds3

About 1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine

1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine (PubChem CID 117408617) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine
PubChem CID117408617
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine
SMILESCOc1c(C(C)(C)C)cc(C)cc1C1(C(C)N)CC1
InChIInChI=1S/C17H27NO/c1-11-9-13(16(3,4)5)15(19-6)14(10-11)17(7-8-17)12(2)18/h9-10,12H,7-8,18H2,1-6H3
InChIKeyDAZCWTRYWVAMIS-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117441175
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117422055
1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117499657
5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343267
1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382009
1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine
CID 117391359
1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117459525
6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343281
1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine
CID 117301565
1-[1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]cyclopropyl]ethanamine
CID 117355040
3-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethoxybenzaldehyde
CID 117376478

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine (CID 117408617) is 1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine is COc1c(C(C)(C)C)cc(C)cc1C1(C(C)N)CC1.
What is the InChIKey of 1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine?
The InChIKey is DAZCWTRYWVAMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11-9-13(16(3,4)5)15(19-6)14(10-11)17(7-8-17)12(2)18/h9-10,12H,7-8,18H2,1-6H3.
What are the key properties of 1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine?
1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117408617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).