[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine

C15H23NO — CID 82290284

IUPAC[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine
SMILESCOc1ccc(C2(CN)CC2)cc1C(C)(C)C
InChIInChI=1S/C15H23NO/c1-14(2,3)12-9-11(5-6-13(12)17-4)15(10-16)7-8-15/h5-6,9H,7-8,10,16H2,1-4H3
InChIKeyMKTPSQFFXCESIT-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.98
Rot. Bonds3

About [1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine

[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine (PubChem CID 82290284) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine
PubChem CID82290284
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine
SMILESCOc1ccc(C2(CN)CC2)cc1C(C)(C)C
InChIInChI=1S/C15H23NO/c1-14(2,3)12-9-11(5-6-13(12)17-4)15(10-16)7-8-15/h5-6,9H,7-8,10,16H2,1-4H3
InChIKeyMKTPSQFFXCESIT-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401401
[2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine
CID 82122627
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 117372025
[1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 82296042
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine
CID 117320792
3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane
CID 116876033
2-(3-tert-butyl-4-methoxyphenyl)-2-methyloxirane
CID 82048860
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
[4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride
CID 2852629
[1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine
CID 117436679

Frequently Asked Questions

What is the IUPAC name of [1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine (CID 82290284) is [1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine is COc1ccc(C2(CN)CC2)cc1C(C)(C)C.
What is the InChIKey of [1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine?
The InChIKey is MKTPSQFFXCESIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2,3)12-9-11(5-6-13(12)17-4)15(10-16)7-8-15/h5-6,9H,7-8,10,16H2,1-4H3.
What are the key properties of [1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine?
[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine has a molecular weight of 233.35 g/mol, XLogP of 2.98, 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-methoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 82290284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).