2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol

C16H22ClNO2 — CID 61049380

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol
SMILESOCC(NCC1CCCO1)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H22ClNO2/c17-14-7-5-13(6-8-14)16(11-19,12-3-4-12)18-10-15-2-1-9-20-15/h5-8,12,15,18-19H,1-4,9-11H2
InChIKeyZJUXGUVFKNQTMJ-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.71
Rot. Bonds6

About 2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol

2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol (PubChem CID 61049380) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol
PubChem CID61049380
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol
SMILESOCC(NCC1CCCO1)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H22ClNO2/c17-14-7-5-13(6-8-14)16(11-19,12-3-4-12)18-10-15-2-1-9-20-15/h5-8,12,15,18-19H,1-4,9-11H2
InChIKeyZJUXGUVFKNQTMJ-UHFFFAOYSA-N
XLogP2.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 61050759
1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea
CID 113216252
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol
CID 61047828
1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol
CID 82713245
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
CID 19654469
2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 54797397
5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81300825
2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65167302
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 61050166
2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 114872852

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol (CID 61049380) is 2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol is OCC(NCC1CCCO1)(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol?
The InChIKey is ZJUXGUVFKNQTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c17-14-7-5-13(6-8-14)16(11-19,12-3-4-12)18-10-15-2-1-9-20-15/h5-8,12,15,18-19H,1-4,9-11H2.
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol?
2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol has a molecular weight of 295.81 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol is sourced from PubChem (CID 61049380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).