2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol

C18H29NO2 — CID 61050759

IUPAC2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
SMILESCC(C)(C)c1ccc(C(C)(CO)NCC2CCCO2)cc1
InChIInChI=1S/C18H29NO2/c1-17(2,3)14-7-9-15(10-8-14)18(4,13-20)19-12-16-6-5-11-21-16/h7-10,16,19-20H,5-6,11-13H2,1-4H3
InChIKeyIPCDNALXDMBUGP-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol

2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol (PubChem CID 61050759) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
PubChem CID61050759
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
SMILESCC(C)(C)c1ccc(C(C)(CO)NCC2CCCO2)cc1
InChIInChI=1S/C18H29NO2/c1-17(2,3)14-7-9-15(10-8-14)18(4,13-20)19-12-16-6-5-11-21-16/h7-10,16,19-20H,5-6,11-13H2,1-4H3
InChIKeyIPCDNALXDMBUGP-UHFFFAOYSA-N
XLogP2.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 61050166
2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol
CID 61049380
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
4-tert-butyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 2947452
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
2-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60996868
(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 1301403
4-tert-butyl-N-[(1R)-2,2,2-trichloro-1-[[(2R)-oxolan-2-yl]methylamino]ethyl]benzamide
CID 1101251
2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 114872852
3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol
CID 106172498
2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 113198023
2-(4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60997144

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol?
The IUPAC name of 2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol (CID 61050759) is 2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol is CC(C)(C)c1ccc(C(C)(CO)NCC2CCCO2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol?
The InChIKey is IPCDNALXDMBUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-17(2,3)14-7-9-15(10-8-14)18(4,13-20)19-12-16-6-5-11-21-16/h7-10,16,19-20H,5-6,11-13H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol?
2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 61050759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).