1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C12H27NO3 — CID 64603432

IUPAC1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCOCCC(C)NCC(O)COC(C)(C)C
InChIInChI=1S/C12H27NO3/c1-10(6-7-15-5)13-8-11(14)9-16-12(2,3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeyOKVFYYDFTCWWLC-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.18
Rot. Bonds8

About 1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 64603432) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID64603432
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCOCCC(C)NCC(O)COC(C)(C)C
InChIInChI=1S/C12H27NO3/c1-10(6-7-15-5)13-8-11(14)9-16-12(2,3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeyOKVFYYDFTCWWLC-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
CID 8741528
3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid
CID 103254890
1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol
CID 64603424
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol
CID 116534815
1-(heptan-2-ylamino)-3-methoxypropan-2-ol
CID 63930489
1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol
CID 64604441
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81387292
N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904402
N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine
CID 79547510
1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol
CID 64604856
1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol
CID 60634427

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 64603432) is 1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is COCCC(C)NCC(O)COC(C)(C)C.
What is the InChIKey of 1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is OKVFYYDFTCWWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-10(6-7-15-5)13-8-11(14)9-16-12(2,3)4/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of 1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 233.35 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 64603432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).