1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol

C15H23NO — CID 174278724

IUPAC1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol
SMILESCC(C)Nc1ccc(C(C)C)cc1C1(O)CC1
InChIInChI=1S/C15H23NO/c1-10(2)12-5-6-14(16-11(3)4)13(9-12)15(17)7-8-15/h5-6,9-11,16-17H,7-8H2,1-4H3
InChIKeyCXYCWGXUTRSAOX-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.61
Rot. Bonds4

About 1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol

1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol (PubChem CID 174278724) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol
PubChem CID174278724
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol
SMILESCC(C)Nc1ccc(C(C)C)cc1C1(O)CC1
InChIInChI=1S/C15H23NO/c1-10(2)12-5-6-14(16-11(3)4)13(9-12)15(17)7-8-15/h5-6,9-11,16-17H,7-8H2,1-4H3
InChIKeyCXYCWGXUTRSAOX-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol (CID 174278724) is 1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol is CC(C)Nc1ccc(C(C)C)cc1C1(O)CC1.
What is the InChIKey of 1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol?
The InChIKey is CXYCWGXUTRSAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)12-5-6-14(16-11(3)4)13(9-12)15(17)7-8-15/h5-6,9-11,16-17H,7-8H2,1-4H3.
What are the key properties of 1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol?
1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 174278724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).