3-[(3-propoxyphenyl)methylamino]pentan-1-ol

C15H25NO2 — CID 115644712

IUPAC3-[(3-propoxyphenyl)methylamino]pentan-1-ol
SMILESCCCOc1cccc(CNC(CC)CCO)c1
InChIInChI=1S/C15H25NO2/c1-3-10-18-15-7-5-6-13(11-15)12-16-14(4-2)8-9-17/h5-7,11,14,16-17H,3-4,8-10,12H2,1-2H3
InChIKeyHUWJJOTWXLIWNT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.73
Rot. Bonds9

About 3-[(3-propoxyphenyl)methylamino]pentan-1-ol

3-[(3-propoxyphenyl)methylamino]pentan-1-ol (PubChem CID 115644712) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[(3-propoxyphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[(3-propoxyphenyl)methylamino]pentan-1-ol
PubChem CID115644712
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[(3-propoxyphenyl)methylamino]pentan-1-ol
SMILESCCCOc1cccc(CNC(CC)CCO)c1
InChIInChI=1S/C15H25NO2/c1-3-10-18-15-7-5-6-13(11-15)12-16-14(4-2)8-9-17/h5-7,11,14,16-17H,3-4,8-10,12H2,1-2H3
InChIKeyHUWJJOTWXLIWNT-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[(3-propoxyphenyl)methylamino]pentan-1-ol
CID 61247010
3-[(3-propoxyphenyl)methylamino]pentanenitrile
CID 62646062
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274
3-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449151
N-[(3-propoxyphenyl)methyl]hex-1-yn-3-amine
CID 114160786
1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
CID 54848596
3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 111469199
1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine
CID 113407229
(1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81363781
2-(hydroxymethyl)-2-[(3-propoxyphenyl)methylamino]propane-1,3-diol
CID 107850468
1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955260
(2S)-2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40638934

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propoxyphenyl)methylamino]pentan-1-ol?
The IUPAC name of 3-[(3-propoxyphenyl)methylamino]pentan-1-ol (CID 115644712) is 3-[(3-propoxyphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-[(3-propoxyphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 3-[(3-propoxyphenyl)methylamino]pentan-1-ol is CCCOc1cccc(CNC(CC)CCO)c1.
What is the InChIKey of 3-[(3-propoxyphenyl)methylamino]pentan-1-ol?
The InChIKey is HUWJJOTWXLIWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-10-18-15-7-5-6-13(11-15)12-16-14(4-2)8-9-17/h5-7,11,14,16-17H,3-4,8-10,12H2,1-2H3.
What are the key properties of 3-[(3-propoxyphenyl)methylamino]pentan-1-ol?
3-[(3-propoxyphenyl)methylamino]pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propoxyphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 115644712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).