4-[3-(3-propoxypropylamino)butyl]phenol

C16H27NO2 — CID 82941031

IUPAC4-[3-(3-propoxypropylamino)butyl]phenol
SMILESCCCOCCCNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C16H27NO2/c1-3-12-19-13-4-11-17-14(2)5-6-15-7-9-16(18)10-8-15/h7-10,14,17-18H,3-6,11-13H2,1-2H3
InChIKeySLHNMSQPLILRNY-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.12
Rot. Bonds10

About 4-[3-(3-propoxypropylamino)butyl]phenol

4-[3-(3-propoxypropylamino)butyl]phenol (PubChem CID 82941031) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[3-(3-propoxypropylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(3-propoxypropylamino)butyl]phenol
PubChem CID82941031
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-[3-(3-propoxypropylamino)butyl]phenol
SMILESCCCOCCCNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C16H27NO2/c1-3-12-19-13-4-11-17-14(2)5-6-15-7-9-16(18)10-8-15/h7-10,14,17-18H,3-6,11-13H2,1-2H3
InChIKeySLHNMSQPLILRNY-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.12
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

4-[3-(4-propan-2-yloxybutylamino)butyl]phenol
CID 104862569
4-[3-(5-methylhexylamino)butyl]phenol
CID 115324450
4-[1-(3-propoxypropylamino)ethyl]phenol
CID 82941450
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
N-(3-propoxypropyl)pentan-2-amine
CID 82940850
4-[4-(4-hydroxyphenyl)butan-2-ylamino]butanoic acid
CID 54920474
4-(5-propoxypentyl)phenol
CID 175182886
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652
4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol
CID 104861930
N-(3-propoxypropyl)butan-2-amine
CID 62715458
4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol
CID 104861928
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-propoxypropylamino)butyl]phenol?
The IUPAC name of 4-[3-(3-propoxypropylamino)butyl]phenol (CID 82941031) is 4-[3-(3-propoxypropylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(3-propoxypropylamino)butyl]phenol?
The canonical SMILES for 4-[3-(3-propoxypropylamino)butyl]phenol is CCCOCCCNC(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[3-(3-propoxypropylamino)butyl]phenol?
The InChIKey is SLHNMSQPLILRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-12-19-13-4-11-17-14(2)5-6-15-7-9-16(18)10-8-15/h7-10,14,17-18H,3-6,11-13H2,1-2H3.
What are the key properties of 4-[3-(3-propoxypropylamino)butyl]phenol?
4-[3-(3-propoxypropylamino)butyl]phenol has a molecular weight of 265.40 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-propoxypropylamino)butyl]phenol is sourced from PubChem (CID 82941031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).