1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol

C13H19NO — CID 117111971

IUPAC1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol
SMILESCC(C)(N)Cc1ccccc1C1(O)CC1
InChIInChI=1S/C13H19NO/c1-12(2,14)9-10-5-3-4-6-11(10)13(15)7-8-13/h3-6,15H,7-9,14H2,1-2H3
InChIKeyNVQIXRPXBFJXGR-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.95
Rot. Bonds3

About 1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol

1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol (PubChem CID 117111971) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol
PubChem CID117111971
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol
SMILESCC(C)(N)Cc1ccccc1C1(O)CC1
InChIInChI=1S/C13H19NO/c1-12(2,14)9-10-5-3-4-6-11(10)13(15)7-8-13/h3-6,15H,7-9,14H2,1-2H3
InChIKeyNVQIXRPXBFJXGR-UHFFFAOYSA-N
XLogP1.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol (CID 117111971) is 1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol is CC(C)(N)Cc1ccccc1C1(O)CC1.
What is the InChIKey of 1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol?
The InChIKey is NVQIXRPXBFJXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-12(2,14)9-10-5-3-4-6-11(10)13(15)7-8-13/h3-6,15H,7-9,14H2,1-2H3.
What are the key properties of 1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol?
1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117111971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).