2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol

C15H25NO2 — CID 112512598

IUPAC2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol
SMILESCOc1ccc(C(CO)NC(C)C)cc1C(C)C
InChIInChI=1S/C15H25NO2/c1-10(2)13-8-12(6-7-15(13)18-5)14(9-17)16-11(3)4/h6-8,10-11,14,16-17H,9H2,1-5H3
InChIKeyWDXCOALHOVNCJN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.85
Rot. Bonds6

About 2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol

2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 112512598) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol
PubChem CID112512598
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol
SMILESCOc1ccc(C(CO)NC(C)C)cc1C(C)C
InChIInChI=1S/C15H25NO2/c1-10(2)13-8-12(6-7-15(13)18-5)14(9-17)16-11(3)4/h6-8,10-11,14,16-17H,9H2,1-5H3
InChIKeyWDXCOALHOVNCJN-UHFFFAOYSA-N
XLogP2.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol
CID 112513000
3-(4-methoxy-3-propan-2-ylphenyl)-3-(methylamino)propanoic acid
CID 112518828
3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
CID 83926821
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636
N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950303
2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 116863189
(2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 93470492
1-chloro-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylmethanamine
CID 116962055
2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 116942352
N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950593
(2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol
CID 103784044

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol (CID 112512598) is 2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol is COc1ccc(C(CO)NC(C)C)cc1C(C)C.
What is the InChIKey of 2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is WDXCOALHOVNCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(2)13-8-12(6-7-15(13)18-5)14(9-17)16-11(3)4/h6-8,10-11,14,16-17H,9H2,1-5H3.
What are the key properties of 2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol?
2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 251.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 112512598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).