[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine

C15H23NO — CID 117339009

IUPAC[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine
SMILESCOc1c(C)cc(C2(CN)CC2)cc1C(C)C
InChIInChI=1S/C15H23NO/c1-10(2)13-8-12(15(9-16)5-6-15)7-11(3)14(13)17-4/h7-8,10H,5-6,9,16H2,1-4H3
InChIKeyGLYXIRUSLOCPBO-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.12
Rot. Bonds4

About [1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine

[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine (PubChem CID 117339009) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine
PubChem CID117339009
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine
SMILESCOc1c(C)cc(C2(CN)CC2)cc1C(C)C
InChIInChI=1S/C15H23NO/c1-10(2)13-8-12(15(9-16)5-6-15)7-11(3)14(13)17-4/h7-8,10H,5-6,9,16H2,1-4H3
InChIKeyGLYXIRUSLOCPBO-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117497551
[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 84790715
1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine
CID 117408749
[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 117372025
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine
CID 84665068
[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117408710
[1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117371901
2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid
CID 117469305
[1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine
CID 117441153
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine (CID 117339009) is [1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine is COc1c(C)cc(C2(CN)CC2)cc1C(C)C.
What is the InChIKey of [1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine?
The InChIKey is GLYXIRUSLOCPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)13-8-12(15(9-16)5-6-15)7-11(3)14(13)17-4/h7-8,10H,5-6,9,16H2,1-4H3.
What are the key properties of [1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine?
[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine has a molecular weight of 233.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117339009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).