1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol

C15H23NO — CID 113428863

IUPAC1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol
SMILESCC(O)(CNC(C)(C)C1CC1)c1ccccc1
InChIInChI=1S/C15H23NO/c1-14(2,12-9-10-12)16-11-15(3,17)13-7-5-4-6-8-13/h4-8,12,16-17H,9-11H2,1-3H3
InChIKeyNQZMTVXVWTVJNV-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.67
Rot. Bonds5

About 1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol

1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol (PubChem CID 113428863) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol
PubChem CID113428863
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol
SMILESCC(O)(CNC(C)(C)C1CC1)c1ccccc1
InChIInChI=1S/C15H23NO/c1-14(2,12-9-10-12)16-11-15(3,17)13-7-5-4-6-8-13/h4-8,12,16-17H,9-11H2,1-3H3
InChIKeyNQZMTVXVWTVJNV-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
CID 173355754
1-[(2-methylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 63277919
2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid
CID 79789645
2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid
CID 79809198
1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol
CID 113290123
1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol
CID 81393030
3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol
CID 114154109
N-benzyl-2-cyclopentylpropan-2-amine
CID 115868314
1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 111466864
1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
CID 62373536
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
4-(cyclohexylamino)-2-phenylbutan-2-ol
CID 12512269

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol?
The IUPAC name of 1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol (CID 113428863) is 1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol is CC(O)(CNC(C)(C)C1CC1)c1ccccc1.
What is the InChIKey of 1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol?
The InChIKey is NQZMTVXVWTVJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2,12-9-10-12)16-11-15(3,17)13-7-5-4-6-8-13/h4-8,12,16-17H,9-11H2,1-3H3.
What are the key properties of 1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol?
1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol is sourced from PubChem (CID 113428863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).