2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine

C16H25NO — CID 69279572

IUPAC2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine
SMILESCOc1cc(C)c(C(N)CC2CC2)cc1C(C)C
InChIInChI=1S/C16H25NO/c1-10(2)13-9-14(11(3)7-16(13)18-4)15(17)8-12-5-6-12/h7,9-10,12,15H,5-6,8,17H2,1-4H3
InChIKeyJBSKINJSNOJYBP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.93
Rot. Bonds5

About 2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine

2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine (PubChem CID 69279572) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine
PubChem CID69279572
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine
SMILESCOc1cc(C)c(C(N)CC2CC2)cc1C(C)C
InChIInChI=1S/C16H25NO/c1-10(2)13-9-14(11(3)7-16(13)18-4)15(17)8-12-5-6-12/h7,9-10,12,15H,5-6,8,17H2,1-4H3
InChIKeyJBSKINJSNOJYBP-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936466
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 116934324
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935315
3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116848764
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234340
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(1-methylcyclopropyl)methanamine
CID 82296040
(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234667
4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride
CID 171200749
2-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 105179040
2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol
CID 116942367
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine
CID 103394387
1-cyclopropyl-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]methanamine
CID 69279056

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine (CID 69279572) is 2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine is COc1cc(C)c(C(N)CC2CC2)cc1C(C)C.
What is the InChIKey of 2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine?
The InChIKey is JBSKINJSNOJYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10(2)13-9-14(11(3)7-16(13)18-4)15(17)8-12-5-6-12/h7,9-10,12,15H,5-6,8,17H2,1-4H3.
What are the key properties of 2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine?
2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 69279572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).