1-butoxy-3-(3-phenylpropylamino)propan-2-ol

C16H27NO2 — CID 107262604

IUPAC1-butoxy-3-(3-phenylpropylamino)propan-2-ol
SMILESCCCCOCC(O)CNCCCc1ccccc1
InChIInChI=1S/C16H27NO2/c1-2-3-12-19-14-16(18)13-17-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,16-18H,2-3,7,10-14H2,1H3
InChIKeyCVOZDPRYPIFHBM-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.39
Rot. Bonds11

About 1-butoxy-3-(3-phenylpropylamino)propan-2-ol

1-butoxy-3-(3-phenylpropylamino)propan-2-ol (PubChem CID 107262604) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-butoxy-3-(3-phenylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-(3-phenylpropylamino)propan-2-ol
PubChem CID107262604
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-butoxy-3-(3-phenylpropylamino)propan-2-ol
SMILESCCCCOCC(O)CNCCCc1ccccc1
InChIInChI=1S/C16H27NO2/c1-2-3-12-19-14-16(18)13-17-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,16-18H,2-3,7,10-14H2,1H3
InChIKeyCVOZDPRYPIFHBM-UHFFFAOYSA-N
XLogP2.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol
CID 107262456
1-(3-phenylpropylamino)butan-2-ol
CID 60905255
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
1-(3-phenylpropoxy)pentan-2-ol
CID 62042803
1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 62314096
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol
CID 107263166
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-butoxy-3-[2-[(3-butoxy-2-hydroxypropyl)amino]anilino]propan-2-ol
CID 155231393
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-(3-phenylpropylamino)propan-2-ol?
The IUPAC name of 1-butoxy-3-(3-phenylpropylamino)propan-2-ol (CID 107262604) is 1-butoxy-3-(3-phenylpropylamino)propan-2-ol.
What is the SMILES notation for 1-butoxy-3-(3-phenylpropylamino)propan-2-ol?
The canonical SMILES for 1-butoxy-3-(3-phenylpropylamino)propan-2-ol is CCCCOCC(O)CNCCCc1ccccc1.
What is the InChIKey of 1-butoxy-3-(3-phenylpropylamino)propan-2-ol?
The InChIKey is CVOZDPRYPIFHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-3-12-19-14-16(18)13-17-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,16-18H,2-3,7,10-14H2,1H3.
What are the key properties of 1-butoxy-3-(3-phenylpropylamino)propan-2-ol?
1-butoxy-3-(3-phenylpropylamino)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.39, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(3-phenylpropylamino)propan-2-ol is sourced from PubChem (CID 107262604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).