2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol

C13H19NO2 — CID 64804277

IUPAC2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol
SMILESNC(CO)(COCC1CC1)c1ccccc1
InChIInChI=1S/C13H19NO2/c14-13(9-15,10-16-8-11-6-7-11)12-4-2-1-3-5-12/h1-5,11,15H,6-10,14H2
InChIKeyWXPIXHNUTAHYRX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.26
Rot. Bonds6

About 2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol

2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol (PubChem CID 64804277) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol
PubChem CID64804277
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol
SMILESNC(CO)(COCC1CC1)c1ccccc1
InChIInChI=1S/C13H19NO2/c14-13(9-15,10-16-8-11-6-7-11)12-4-2-1-3-5-12/h1-5,11,15H,6-10,14H2
InChIKeyWXPIXHNUTAHYRX-UHFFFAOYSA-N
XLogP1.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol (CID 64804277) is 2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol is NC(CO)(COCC1CC1)c1ccccc1.
What is the InChIKey of 2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol?
The InChIKey is WXPIXHNUTAHYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-13(9-15,10-16-8-11-6-7-11)12-4-2-1-3-5-12/h1-5,11,15H,6-10,14H2.
What are the key properties of 2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol?
2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol is sourced from PubChem (CID 64804277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).