[(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine

C15H23NO — CID 178197114

IUPAC[(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCCOc1ccc([C@H]2[C@H](CN)C2(C)C)c(C)c1
InChIInChI=1S/C15H23NO/c1-5-17-11-6-7-12(10(2)8-11)14-13(9-16)15(14,3)4/h6-8,13-14H,5,9,16H2,1-4H3/t13-,14-/m0/s1
InChIKeyVPFITIGLTSMUPD-KBPBESRZSA-N
MW233.35 g/mol
LogP3.09
Rot. Bonds4

About [(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine

[(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 178197114) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID178197114
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCCOc1ccc([C@H]2[C@H](CN)C2(C)C)c(C)c1
InChIInChI=1S/C15H23NO/c1-5-17-11-6-7-12(10(2)8-11)14-13(9-16)15(14,3)4/h6-8,13-14H,5,9,16H2,1-4H3/t13-,14-/m0/s1
InChIKeyVPFITIGLTSMUPD-KBPBESRZSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine
CID 114229412
5-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]-2-methylphenol
CID 178197812
5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole
CID 21328336
(4-ethoxy-2-methylphenyl)methanethiol
CID 83798448
6-ethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 79728842
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415009
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
ethyl 2-(4-ethoxy-2-methylphenyl)-2-oxoacetate
CID 82553694
5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole
CID 70672105
2-(4-ethoxy-2-methylphenyl)-2-(2-methylcyclohexyl)ethanamine
CID 83974256
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
(1R)-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417533

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine (CID 178197114) is [(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine is CCOc1ccc([C@H]2[C@H](CN)C2(C)C)c(C)c1.
What is the InChIKey of [(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is VPFITIGLTSMUPD-KBPBESRZSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-17-11-6-7-12(10(2)8-11)14-13(9-16)15(14,3)4/h6-8,13-14H,5,9,16H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of [(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine?
[(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 233.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 178197114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).