2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol

C13H19NO — CID 175501471

IUPAC2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(NC2CC2)cc1
InChIInChI=1S/C13H19NO/c1-13(2,9-15)10-3-5-11(6-4-10)14-12-7-8-12/h3-6,12,14-15H,7-9H2,1-2H3
InChIKeyGHRTYFPETIXBEC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.53
Rot. Bonds4

About 2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol

2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol (PubChem CID 175501471) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol
PubChem CID175501471
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(NC2CC2)cc1
InChIInChI=1S/C13H19NO/c1-13(2,9-15)10-3-5-11(6-4-10)14-12-7-8-12/h3-6,12,14-15H,7-9H2,1-2H3
InChIKeyGHRTYFPETIXBEC-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol (CID 175501471) is 2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol is CC(C)(CO)c1ccc(NC2CC2)cc1.
What is the InChIKey of 2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol?
The InChIKey is GHRTYFPETIXBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,9-15)10-3-5-11(6-4-10)14-12-7-8-12/h3-6,12,14-15H,7-9H2,1-2H3.
What are the key properties of 2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol?
2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 175501471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).