1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol

C14H21NO2 — CID 63270705

IUPAC1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
SMILESCOc1ccc(CC(C)(O)CNC2CC2)cc1
InChIInChI=1S/C14H21NO2/c1-14(16,10-15-12-5-6-12)9-11-3-7-13(17-2)8-4-11/h3-4,7-8,12,15-16H,5-6,9-10H2,1-2H3
InChIKeyCBJVAZSXPKUUBS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.74
Rot. Bonds6

About 1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol

1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol (PubChem CID 63270705) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
PubChem CID63270705
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
SMILESCOc1ccc(CC(C)(O)CNC2CC2)cc1
InChIInChI=1S/C14H21NO2/c1-14(16,10-15-12-5-6-12)9-11-3-7-13(17-2)8-4-11/h3-4,7-8,12,15-16H,5-6,9-10H2,1-2H3
InChIKeyCBJVAZSXPKUUBS-UHFFFAOYSA-N
XLogP1.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 66038452
1-(cyclopropylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 62773017
1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270750
1-(cyclopentylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 115002997
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol
CID 66170006
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
1-(cyclopropylamino)-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038933
1-(cyclopropylamino)-2-methyl-3-naphthalen-1-ylpropan-2-ol
CID 66040349
2-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782018
2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982952
2-(4-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782036

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol (CID 63270705) is 1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol is COc1ccc(CC(C)(O)CNC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol?
The InChIKey is CBJVAZSXPKUUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(16,10-15-12-5-6-12)9-11-3-7-13(17-2)8-4-11/h3-4,7-8,12,15-16H,5-6,9-10H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol?
1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 63270705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).