(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine

C16H25NO — CID 82296043

IUPAC(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine
SMILESCOc1cc(C)c(C(N)C2CC2)cc1C(C)(C)C
InChIInChI=1S/C16H25NO/c1-10-8-14(18-5)13(16(2,3)4)9-12(10)15(17)11-6-7-11/h8-9,11,15H,6-7,17H2,1-5H3
InChIKeyNYGPHNKXTKJVRS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.71
Rot. Bonds3

About (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine

(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine (PubChem CID 82296043) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine
PubChem CID82296043
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine
SMILESCOc1cc(C)c(C(N)C2CC2)cc1C(C)(C)C
InChIInChI=1S/C16H25NO/c1-10-8-14(18-5)13(16(2,3)4)9-12(10)15(17)11-6-7-11/h8-9,11,15H,6-7,17H2,1-5H3
InChIKeyNYGPHNKXTKJVRS-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
CID 82302431
(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
CID 82292642
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine
CID 82496678
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 117469295
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 82481489
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935315
(5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine
CID 65440297
cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine
CID 130024487
(3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol
CID 82049131

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine?
The IUPAC name of (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine (CID 82296043) is (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine.
What is the SMILES notation for (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine?
The canonical SMILES for (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine is COc1cc(C)c(C(N)C2CC2)cc1C(C)(C)C.
What is the InChIKey of (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine?
The InChIKey is NYGPHNKXTKJVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10-8-14(18-5)13(16(2,3)4)9-12(10)15(17)11-6-7-11/h8-9,11,15H,6-7,17H2,1-5H3.
What are the key properties of (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine?
(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine is sourced from PubChem (CID 82296043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).