2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol

C16H23NO3 — CID 64810413

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol
SMILESOCc1cccc(OCC(CO)(NC2CC2)C2CC2)c1
InChIInChI=1S/C16H23NO3/c18-9-12-2-1-3-15(8-12)20-11-16(10-19,13-4-5-13)17-14-6-7-14/h1-3,8,13-14,17-19H,4-7,9-11H2
InChIKeyUHTDRSRIJQWCPM-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.45
Rot. Bonds8

About 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol

2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol (PubChem CID 64810413) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol
PubChem CID64810413
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol
SMILESOCc1cccc(OCC(CO)(NC2CC2)C2CC2)c1
InChIInChI=1S/C16H23NO3/c18-9-12-2-1-3-15(8-12)20-11-16(10-19,13-4-5-13)17-14-6-7-14/h1-3,8,13-14,17-19H,4-7,9-11H2
InChIKeyUHTDRSRIJQWCPM-UHFFFAOYSA-N
XLogP1.45
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol
CID 64804172
2-cyclopropyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-1-ol
CID 111977184
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile
CID 63984999
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate
CID 63919019
N-cyclohexyl-2-[3-(hydroxymethyl)phenoxy]acetamide
CID 28562082
(3-cyclopropyloxyphenyl)methanol
CID 57336629
2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]-2-methylpropanamide
CID 63984624
[3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol
CID 114856939
2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol
CID 64806267
[3-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929767
2-cyclopropyl-2-(cyclopropylamino)-3-[4-(hydroxymethyl)phenoxy]propanoic acid
CID 63921694
[3-(fluoromethoxy)phenyl]methanol
CID 130445893

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol (CID 64810413) is 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol is OCc1cccc(OCC(CO)(NC2CC2)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol?
The InChIKey is UHTDRSRIJQWCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-9-12-2-1-3-15(8-12)20-11-16(10-19,13-4-5-13)17-14-6-7-14/h1-3,8,13-14,17-19H,4-7,9-11H2.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol has a molecular weight of 277.36 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol is sourced from PubChem (CID 64810413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).