2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol

C15H25NO2 — CID 61048608

IUPAC2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol
SMILESCCC(C)NC(C)(CO)c1cc(C)ccc1OC
InChIInChI=1S/C15H25NO2/c1-6-12(3)16-15(4,10-17)13-9-11(2)7-8-14(13)18-5/h7-9,12,16-17H,6,10H2,1-5H3
InChIKeyQWNMHPYOQUCTRW-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.60
Rot. Bonds6

About 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol

2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol (PubChem CID 61048608) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol
PubChem CID61048608
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol
SMILESCCC(C)NC(C)(CO)c1cc(C)ccc1OC
InChIInChI=1S/C15H25NO2/c1-6-12(3)16-15(4,10-17)13-9-11(2)7-8-14(13)18-5/h7-9,12,16-17H,6,10H2,1-5H3
InChIKeyQWNMHPYOQUCTRW-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 61025042
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
2-(2-methoxy-5-methylphenyl)-N-methylpropan-2-amine
CID 82281676
1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol
CID 131862050
2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003662
2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)propanamide
CID 54908499
2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 43753817
2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol
CID 82313727
chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 89214237
2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol
CID 115133221
1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
1-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]butane-1,3-diamine
CID 115199715

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol?
The IUPAC name of 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol (CID 61048608) is 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol is CCC(C)NC(C)(CO)c1cc(C)ccc1OC.
What is the InChIKey of 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol?
The InChIKey is QWNMHPYOQUCTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-12(3)16-15(4,10-17)13-9-11(2)7-8-14(13)18-5/h7-9,12,16-17H,6,10H2,1-5H3.
What are the key properties of 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol?
2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 61048608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).