1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol

C17H29NO2 — CID 107664435

IUPAC1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCCC(C)c1ccc(OCC(O)CNCC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-5-14(4)15-6-8-17(9-7-15)20-12-16(19)11-18-10-13(2)3/h6-9,13-14,16,18-19H,5,10-12H2,1-4H3
InChIKeyXMUVXLINJTVESH-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.19
Rot. Bonds9

About 1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol

1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 107664435) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol
PubChem CID107664435
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCCC(C)c1ccc(OCC(O)CNCC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-5-14(4)15-6-8-17(9-7-15)20-12-16(19)11-18-10-13(2)3/h6-9,13-14,16,18-19H,5,10-12H2,1-4H3
InChIKeyXMUVXLINJTVESH-UHFFFAOYSA-N
XLogP3.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
1-(4-butan-2-ylphenoxy)decan-2-ol
CID 23396711
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
[3-(4-butan-2-ylphenoxy)-2-hydroxypropyl] prop-2-enoate
CID 23517808
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
1-(2-methylpropylamino)-3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 167345215
1-(2-aminopropylamino)-3-[4-[[4-[3-(2-aminopropylamino)-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 126581078

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol (CID 107664435) is 1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol is CCC(C)c1ccc(OCC(O)CNCC(C)C)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is XMUVXLINJTVESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-14(4)15-6-8-17(9-7-15)20-12-16(19)11-18-10-13(2)3/h6-9,13-14,16,18-19H,5,10-12H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 107664435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).