[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine

C16H25NO — CID 117372025

IUPAC[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
SMILESCOc1c(C)cc(C2(CN)CC2)cc1C(C)(C)C
InChIInChI=1S/C16H25NO/c1-11-8-12(16(10-17)6-7-16)9-13(14(11)18-5)15(2,3)4/h8-9H,6-7,10,17H2,1-5H3
InChIKeyLCXCVTCYAMGFMI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.29
Rot. Bonds3

About [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine

[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine (PubChem CID 117372025) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
PubChem CID117372025
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
SMILESCOc1c(C)cc(C2(CN)CC2)cc1C(C)(C)C
InChIInChI=1S/C16H25NO/c1-11-8-12(16(10-17)6-7-16)9-13(14(11)18-5)15(2,3)4/h8-9H,6-7,10,17H2,1-5H3
InChIKeyLCXCVTCYAMGFMI-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117408710
[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 84790715
1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene
CID 58980632
[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117339009
[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine
CID 82290284
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
[1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 82296042
[1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117467251
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997
4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol
CID 84801297
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298894

Frequently Asked Questions

What is the IUPAC name of [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine (CID 117372025) is [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine is COc1c(C)cc(C2(CN)CC2)cc1C(C)(C)C.
What is the InChIKey of [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine?
The InChIKey is LCXCVTCYAMGFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-8-12(16(10-17)6-7-16)9-13(14(11)18-5)15(2,3)4/h8-9H,6-7,10,17H2,1-5H3.
What are the key properties of [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine?
[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117372025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).