2-(2-hydroxypropylamino)-3-methoxypropan-1-ol

C7H17NO3 — CID 106190268

IUPAC2-(2-hydroxypropylamino)-3-methoxypropan-1-ol
SMILESCOCC(CO)NCC(C)O
InChIInChI=1S/C7H17NO3/c1-6(10)3-8-7(4-9)5-11-2/h6-10H,3-5H2,1-2H3
InChIKeyIQQVWRGTJODLGQ-UHFFFAOYSA-N
MW163.22 g/mol
LogP-1.04
Rot. Bonds6

About 2-(2-hydroxypropylamino)-3-methoxypropan-1-ol

2-(2-hydroxypropylamino)-3-methoxypropan-1-ol (PubChem CID 106190268) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(2-hydroxypropylamino)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxypropylamino)-3-methoxypropan-1-ol
PubChem CID106190268
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name2-(2-hydroxypropylamino)-3-methoxypropan-1-ol
SMILESCOCC(CO)NCC(C)O
InChIInChI=1S/C7H17NO3/c1-6(10)3-8-7(4-9)5-11-2/h6-10H,3-5H2,1-2H3
InChIKeyIQQVWRGTJODLGQ-UHFFFAOYSA-N
XLogP-1.04
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(1-methoxypropan-2-ylamino)propan-2-ol
CID 103906714
2-(2-hydroxypropylamino)pentan-1-ol
CID 126754645
ethyl 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylpropanoate
CID 106190326
1-(2-ethoxyethoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
CID 114156052
2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid
CID 106190983
(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 130685651
2-(3-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190319
3-(1-methoxypentan-2-ylamino)propane-1,2-diol
CID 77035883
2-(2-hydroxypropylamino)octan-1-ol
CID 86053994
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol
CID 106989573
(2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol
CID 154008770
(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol
CID 55298734

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropylamino)-3-methoxypropan-1-ol?
The IUPAC name of 2-(2-hydroxypropylamino)-3-methoxypropan-1-ol (CID 106190268) is 2-(2-hydroxypropylamino)-3-methoxypropan-1-ol.
What is the SMILES notation for 2-(2-hydroxypropylamino)-3-methoxypropan-1-ol?
The canonical SMILES for 2-(2-hydroxypropylamino)-3-methoxypropan-1-ol is COCC(CO)NCC(C)O.
What is the InChIKey of 2-(2-hydroxypropylamino)-3-methoxypropan-1-ol?
The InChIKey is IQQVWRGTJODLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-6(10)3-8-7(4-9)5-11-2/h6-10H,3-5H2,1-2H3.
What are the key properties of 2-(2-hydroxypropylamino)-3-methoxypropan-1-ol?
2-(2-hydroxypropylamino)-3-methoxypropan-1-ol has a molecular weight of 163.22 g/mol, XLogP of -1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropylamino)-3-methoxypropan-1-ol is sourced from PubChem (CID 106190268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).