2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol

C16H27NO2 — CID 64805200

IUPAC2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol
SMILESCc1cc(C)c(C)c(OCCC(CO)NC(C)C)c1
InChIInChI=1S/C16H27NO2/c1-11(2)17-15(10-18)6-7-19-16-9-12(3)8-13(4)14(16)5/h8-9,11,15,17-18H,6-7,10H2,1-5H3
InChIKeyCWBUCNFGBKAFIV-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.74
Rot. Bonds7

About 2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol

2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol (PubChem CID 64805200) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol.

Molecular Properties

Compound Name2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol
PubChem CID64805200
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol
SMILESCc1cc(C)c(C)c(OCCC(CO)NC(C)C)c1
InChIInChI=1S/C16H27NO2/c1-11(2)17-15(10-18)6-7-19-16-9-12(3)8-13(4)14(16)5/h8-9,11,15,17-18H,6-7,10H2,1-5H3
InChIKeyCWBUCNFGBKAFIV-UHFFFAOYSA-N
XLogP2.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butanoate
CID 63033342
4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64809311
3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64803102
2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol
CID 64805286
3-(2,3-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64804810
2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide
CID 55143007
2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol
CID 61076408
N-[2-(2,3,5-trimethylphenoxy)ethyl]pentan-2-amine
CID 62598036
ethyl 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanoate
CID 63039742
4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64856313
N-[2-(2,3,5-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517014
trans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol
CID 162647736

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol?
The IUPAC name of 2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol (CID 64805200) is 2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol.
What is the SMILES notation for 2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol?
The canonical SMILES for 2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol is Cc1cc(C)c(C)c(OCCC(CO)NC(C)C)c1.
What is the InChIKey of 2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol?
The InChIKey is CWBUCNFGBKAFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)17-15(10-18)6-7-19-16-9-12(3)8-13(4)14(16)5/h8-9,11,15,17-18H,6-7,10H2,1-5H3.
What are the key properties of 2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol?
2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol is sourced from PubChem (CID 64805200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).