4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol

C16H25NO3 — CID 114950338

IUPAC4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol
SMILESCCC(O)c1ccccc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C16H25NO3/c1-3-15(18)13-6-4-5-7-14(13)17(2)12-16(19)8-10-20-11-9-16/h4-7,15,18-19H,3,8-12H2,1-2H3
InChIKeyGFNRIVPPCBAPNW-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.11
Rot. Bonds5

About 4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol

4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol (PubChem CID 114950338) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol
PubChem CID114950338
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol
SMILESCCC(O)c1ccccc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C16H25NO3/c1-3-15(18)13-6-4-5-7-14(13)17(2)12-16(19)8-10-20-11-9-16/h4-7,15,18-19H,3,8-12H2,1-2H3
InChIKeyGFNRIVPPCBAPNW-UHFFFAOYSA-N
XLogP2.11
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950295
4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985498
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949747
4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol
CID 114947773
4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol
CID 114947739
4-[(2-amino-3-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 114947799
N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949677
4-[[2-[(1R)-1-hydroxyethyl]-3-methoxy-N-methylanilino]methyl]oxan-4-ol
CID 104985511
1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol
CID 114949985
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
4-[[4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985502
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol
CID 112678972

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol?
The IUPAC name of 4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol (CID 114950338) is 4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol is CCC(O)c1ccccc1N(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol?
The InChIKey is GFNRIVPPCBAPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-15(18)13-6-4-5-7-14(13)17(2)12-16(19)8-10-20-11-9-16/h4-7,15,18-19H,3,8-12H2,1-2H3.
What are the key properties of 4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol?
4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol has a molecular weight of 279.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol is sourced from PubChem (CID 114950338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).