[1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine

C16H25NO — CID 82296042

IUPAC[1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(C)c(C2(CN)CC2)cc1C(C)(C)C
InChIInChI=1S/C16H25NO/c1-11-8-14(18-5)13(15(2,3)4)9-12(11)16(10-17)6-7-16/h8-9H,6-7,10,17H2,1-5H3
InChIKeyWREXTHBCPZOMDR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.29
Rot. Bonds3

About [1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine

[1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine (PubChem CID 82296042) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
PubChem CID82296042
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(C)c(C2(CN)CC2)cc1C(C)(C)C
InChIInChI=1S/C16H25NO/c1-11-8-14(18-5)13(15(2,3)4)9-12(11)16(10-17)6-7-16/h8-9H,6-7,10,17H2,1-5H3
InChIKeyWREXTHBCPZOMDR-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

4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol
CID 117339002
[1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 117428385
[1-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]cyclopropyl]methanamine
CID 117421898
[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine
CID 82290284
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
[1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine
CID 117421894
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723
[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 117372025
1-tert-butyl-5-(1-isocyanatocyclobutyl)-2-methoxy-4-methylbenzene
CID 117436262
[1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine
CID 98033979
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102

Frequently Asked Questions

What is the IUPAC name of [1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine (CID 82296042) is [1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine is COc1cc(C)c(C2(CN)CC2)cc1C(C)(C)C.
What is the InChIKey of [1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine?
The InChIKey is WREXTHBCPZOMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-8-14(18-5)13(15(2,3)4)9-12(11)16(10-17)6-7-16/h8-9H,6-7,10,17H2,1-5H3.
What are the key properties of [1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine?
[1-(5-tert-butyl-4-methoxy-2-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-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 82296042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).