2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol

C17H29NO2 — CID 82313727

IUPAC2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol
SMILESCCC(C)NC(C(C)C)C(O)c1cc(C)ccc1OC
InChIInChI=1S/C17H29NO2/c1-7-13(5)18-16(11(2)3)17(19)14-10-12(4)8-9-15(14)20-6/h8-11,13,16-19H,7H2,1-6H3
InChIKeyYNVLZGGQDWPPPJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.45
Rot. Bonds7

About 2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol

2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol (PubChem CID 82313727) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol
PubChem CID82313727
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol
SMILESCCC(C)NC(C(C)C)C(O)c1cc(C)ccc1OC
InChIInChI=1S/C17H29NO2/c1-7-13(5)18-16(11(2)3)17(19)14-10-12(4)8-9-15(14)20-6/h8-11,13,16-19H,7H2,1-6H3
InChIKeyYNVLZGGQDWPPPJ-UHFFFAOYSA-N
XLogP3.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol
CID 82315218
1-(2-methoxy-5-methylphenyl)-3-sulfanylpropane-1,2-diol
CID 170819807
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate
CID 43732405
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 82313718
2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol
CID 82315219
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate
CID 115352551
1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine
CID 115889898
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82313691
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 81462431

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol (CID 82313727) is 2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol is CCC(C)NC(C(C)C)C(O)c1cc(C)ccc1OC.
What is the InChIKey of 2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol?
The InChIKey is YNVLZGGQDWPPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-13(5)18-16(11(2)3)17(19)14-10-12(4)8-9-15(14)20-6/h8-11,13,16-19H,7H2,1-6H3.
What are the key properties of 2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol?
2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 82313727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).