2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol

C16H23NO2 — CID 79979937

IUPAC2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol
SMILESOCC(NCC1CCCO1)c1ccc(C2CC2)cc1
InChIInChI=1S/C16H23NO2/c18-11-16(17-10-15-2-1-9-19-15)14-7-5-13(6-8-14)12-3-4-12/h5-8,12,15-18H,1-4,9-11H2
InChIKeyVNIINAPBOZXXLB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.37
Rot. Bonds6

About 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol

2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol (PubChem CID 79979937) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol
PubChem CID79979937
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol
SMILESOCC(NCC1CCCO1)c1ccc(C2CC2)cc1
InChIInChI=1S/C16H23NO2/c18-11-16(17-10-15-2-1-9-19-15)14-7-5-13(6-8-14)12-3-4-12/h5-8,12,15-18H,1-4,9-11H2
InChIKeyVNIINAPBOZXXLB-UHFFFAOYSA-N
XLogP2.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 61050569
2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61050567
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049580
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
CID 61049777
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 79984283
2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 114077509
2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61048775
2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 114454315
1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993
1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 115524394
(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
[1-(4-cyclobutylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105338158

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol?
The IUPAC name of 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol (CID 79979937) is 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol is OCC(NCC1CCCO1)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol?
The InChIKey is VNIINAPBOZXXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-11-16(17-10-15-2-1-9-19-15)14-7-5-13(6-8-14)12-3-4-12/h5-8,12,15-18H,1-4,9-11H2.
What are the key properties of 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol?
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol has a molecular weight of 261.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol is sourced from PubChem (CID 79979937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).