3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol

C15H25NO3 — CID 82850496

IUPAC3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol
SMILESCCCNC(CC)c1ccc(OCC(O)CO)cc1
InChIInChI=1S/C15H25NO3/c1-3-9-16-15(4-2)12-5-7-14(8-6-12)19-11-13(18)10-17/h5-8,13,15-18H,3-4,9-11H2,1-2H3
InChIKeyVKGGTPMEJBKDIC-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.87
Rot. Bonds9

About 3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol

3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol (PubChem CID 82850496) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol
PubChem CID82850496
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol
SMILESCCCNC(CC)c1ccc(OCC(O)CO)cc1
InChIInChI=1S/C15H25NO3/c1-3-9-16-15(4-2)12-5-7-14(8-6-12)19-11-13(18)10-17/h5-8,13,15-18H,3-4,9-11H2,1-2H3
InChIKeyVKGGTPMEJBKDIC-UHFFFAOYSA-N
XLogP1.87
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-pentoxyphenyl)-N-propylpropan-1-amine
CID 43280171
1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine
CID 60915678
3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol
CID 139630943
1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine
CID 60887233
N,N-dimethyl-2-[4-[1-(propylamino)propyl]phenoxy]acetamide
CID 43280198
3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol
CID 64812605
1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol
CID 138960105
1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine
CID 107006087
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
N-[1-(4-ethoxyphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64615746
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874341

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol?
The IUPAC name of 3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol (CID 82850496) is 3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol is CCCNC(CC)c1ccc(OCC(O)CO)cc1.
What is the InChIKey of 3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol?
The InChIKey is VKGGTPMEJBKDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-9-16-15(4-2)12-5-7-14(8-6-12)19-11-13(18)10-17/h5-8,13,15-18H,3-4,9-11H2,1-2H3.
What are the key properties of 3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol?
3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol has a molecular weight of 267.37 g/mol, XLogP of 1.87, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 82850496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).