4-[1-(3-propoxypropylamino)ethyl]phenol

C14H23NO2 — CID 82941450

IUPAC4-[1-(3-propoxypropylamino)ethyl]phenol
SMILESCCCOCCCNC(C)c1ccc(O)cc1
InChIInChI=1S/C14H23NO2/c1-3-10-17-11-4-9-15-12(2)13-5-7-14(16)8-6-13/h5-8,12,15-16H,3-4,9-11H2,1-2H3
InChIKeyQIVQXFJWSZPISO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.86
Rot. Bonds8

About 4-[1-(3-propoxypropylamino)ethyl]phenol

4-[1-(3-propoxypropylamino)ethyl]phenol (PubChem CID 82941450) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[1-(3-propoxypropylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(3-propoxypropylamino)ethyl]phenol
PubChem CID82941450
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[1-(3-propoxypropylamino)ethyl]phenol
SMILESCCCOCCCNC(C)c1ccc(O)cc1
InChIInChI=1S/C14H23NO2/c1-3-10-17-11-4-9-15-12(2)13-5-7-14(16)8-6-13/h5-8,12,15-16H,3-4,9-11H2,1-2H3
InChIKeyQIVQXFJWSZPISO-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.86
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

3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 113219272
N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine
CID 82941427
4-[3-(3-propoxypropylamino)butyl]phenol
CID 82941031
4-[1-(3-aminopropylamino)ethyl]phenol
CID 60889322
1-(4-bromophenyl)-N-(2-propoxyethyl)ethanamine
CID 106451818
3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43206900
3-butoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115704386
N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide
CID 82940339
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 7273097
4-[1-(2-aminoethylamino)ethyl]phenol
CID 60887563
N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
CID 82941407

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-propoxypropylamino)ethyl]phenol?
The IUPAC name of 4-[1-(3-propoxypropylamino)ethyl]phenol (CID 82941450) is 4-[1-(3-propoxypropylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-(3-propoxypropylamino)ethyl]phenol?
The canonical SMILES for 4-[1-(3-propoxypropylamino)ethyl]phenol is CCCOCCCNC(C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(3-propoxypropylamino)ethyl]phenol?
The InChIKey is QIVQXFJWSZPISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-10-17-11-4-9-15-12(2)13-5-7-14(16)8-6-13/h5-8,12,15-16H,3-4,9-11H2,1-2H3.
What are the key properties of 4-[1-(3-propoxypropylamino)ethyl]phenol?
4-[1-(3-propoxypropylamino)ethyl]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-propoxypropylamino)ethyl]phenol is sourced from PubChem (CID 82941450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).