1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol

C15H26N2O2 — CID 54332913

IUPAC1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCNCCC(C)NCC(O)COc1ccccc1C
InChIInChI=1S/C15H26N2O2/c1-12-6-4-5-7-15(12)19-11-14(18)10-17-13(2)8-9-16-3/h4-7,13-14,16-18H,8-11H2,1-3H3
InChIKeySZPFVRIHQHUENT-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.32
Rot. Bonds9

About 1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol

1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 54332913) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID54332913
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCNCCC(C)NCC(O)COc1ccccc1C
InChIInChI=1S/C15H26N2O2/c1-12-6-4-5-7-15(12)19-11-14(18)10-17-13(2)8-9-16-3/h4-7,13-14,16-18H,8-11H2,1-3H3
InChIKeySZPFVRIHQHUENT-UHFFFAOYSA-N
XLogP1.32
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60902172
1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60745192
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
CID 61223540
3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol
CID 103949850
1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81396632
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
(2S)-1-[1-(1H-indol-3-yl)propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 57123059
1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768289
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol (CID 54332913) is 1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol is CNCCC(C)NCC(O)COc1ccccc1C.
What is the InChIKey of 1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is SZPFVRIHQHUENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12-6-4-5-7-15(12)19-11-14(18)10-17-13(2)8-9-16-3/h4-7,13-14,16-18H,8-11H2,1-3H3.
What are the key properties of 1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol?
1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 1.32, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 54332913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).