4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol

C17H27NO2 — CID 65189752

IUPAC4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol
SMILESCC(C)COc1ccc(C(CN)C(O)CC2CC2)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)11-20-15-7-5-14(6-8-15)16(10-18)17(19)9-13-3-4-13/h5-8,12-13,16-17,19H,3-4,9-11,18H2,1-2H3
InChIKeyXXOXPLCEYLDFET-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.92
Rot. Bonds8

About 4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol

4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol (PubChem CID 65189752) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol
PubChem CID65189752
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol
SMILESCC(C)COc1ccc(C(CN)C(O)CC2CC2)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)11-20-15-7-5-14(6-8-15)16(10-18)17(19)9-13-3-4-13/h5-8,12-13,16-17,19H,3-4,9-11,18H2,1-2H3
InChIKeyXXOXPLCEYLDFET-UHFFFAOYSA-N
XLogP2.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 65189415
1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol
CID 65189462
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol
CID 65189512
3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
CID 65187865
1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol
CID 103158944
1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol
CID 83151816
4-amino-3-(4-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
CID 103167190
3-amino-1-cyclopentyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185701
2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 112512800
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol
CID 114459281

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol?
The IUPAC name of 4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol (CID 65189752) is 4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol.
What is the SMILES notation for 4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol?
The canonical SMILES for 4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol is CC(C)COc1ccc(C(CN)C(O)CC2CC2)cc1.
What is the InChIKey of 4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol?
The InChIKey is XXOXPLCEYLDFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)11-20-15-7-5-14(6-8-15)16(10-18)17(19)9-13-3-4-13/h5-8,12-13,16-17,19H,3-4,9-11,18H2,1-2H3.
What are the key properties of 4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol?
4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol is sourced from PubChem (CID 65189752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).