2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol

C16H23NO — CID 116507021

IUPAC2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol
SMILESCC(O)(CNC1CC1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C16H23NO/c1-16(18,11-17-15-9-10-15)14-7-5-13(6-8-14)12-3-2-4-12/h5-8,12,15,17-18H,2-4,9-11H2,1H3
InChIKeyNGBRBSJJKNOXRP-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.91
Rot. Bonds5

About 2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol

2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol (PubChem CID 116507021) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol
PubChem CID116507021
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol
SMILESCC(O)(CNC1CC1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C16H23NO/c1-16(18,11-17-15-9-10-15)14-7-5-13(6-8-14)12-3-2-4-12/h5-8,12,15,17-18H,2-4,9-11H2,1H3
InChIKeyNGBRBSJJKNOXRP-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol
CID 116507022
2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464
1-(cyclopropylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 62773017
2-(4-cyclobutylphenyl)-1-cyclopropylpropan-2-ol
CID 116505508
1-(cyclopentylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 115002997
2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol
CID 116505450
2-(4-cyclobutylphenyl)-2-hydroxypropanal
CID 116505401
2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol
CID 116505399
4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol
CID 116505479
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 107290618

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol?
The IUPAC name of 2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol (CID 116507021) is 2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol is CC(O)(CNC1CC1)c1ccc(C2CCC2)cc1.
What is the InChIKey of 2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol?
The InChIKey is NGBRBSJJKNOXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(18,11-17-15-9-10-15)14-7-5-13(6-8-14)12-3-2-4-12/h5-8,12,15,17-18H,2-4,9-11H2,1H3.
What are the key properties of 2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol?
2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol has a molecular weight of 245.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 116507021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).