2-[1-(oxan-3-ylamino)propyl]phenol

C14H21NO2 — CID 63359773

IUPAC2-[1-(oxan-3-ylamino)propyl]phenol
SMILESCCC(NC1CCCOC1)c1ccccc1O
InChIInChI=1S/C14H21NO2/c1-2-13(12-7-3-4-8-14(12)16)15-11-6-5-9-17-10-11/h3-4,7-8,11,13,15-16H,2,5-6,9-10H2,1H3
InChIKeyKICVYHKRPJTBJJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.61
Rot. Bonds4

About 2-[1-(oxan-3-ylamino)propyl]phenol

2-[1-(oxan-3-ylamino)propyl]phenol (PubChem CID 63359773) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-(oxan-3-ylamino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(oxan-3-ylamino)propyl]phenol
PubChem CID63359773
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[1-(oxan-3-ylamino)propyl]phenol
SMILESCCC(NC1CCCOC1)c1ccccc1O
InChIInChI=1S/C14H21NO2/c1-2-13(12-7-3-4-8-14(12)16)15-11-6-5-9-17-10-11/h3-4,7-8,11,13,15-16H,2,5-6,9-10H2,1H3
InChIKeyKICVYHKRPJTBJJ-UHFFFAOYSA-N
XLogP2.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-methoxyphenyl)propyl]oxan-3-amine
CID 63359926
2-[1-(cyclopropylamino)propyl]phenol
CID 16772826
N-[1-(4-fluorophenyl)propyl]oxan-3-amine
CID 63360091
2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol
CID 99632914
2-[1-[(3-methylsulfanylcyclohexyl)amino]propyl]phenol
CID 104924871
N-[1-(4-methoxyphenyl)propyl]oxan-3-amine
CID 63359865
2-[1-[(2,2-diethyloxan-4-yl)amino]propyl]phenol
CID 83035645
2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol
CID 99702928
2-[1-(oxan-3-ylamino)ethyl]naphthalen-1-ol
CID 63360322
2-[1-(methylamino)propyl]phenol
CID 12862798
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-3-ylamino)propyl]phenol?
The IUPAC name of 2-[1-(oxan-3-ylamino)propyl]phenol (CID 63359773) is 2-[1-(oxan-3-ylamino)propyl]phenol.
What is the SMILES notation for 2-[1-(oxan-3-ylamino)propyl]phenol?
The canonical SMILES for 2-[1-(oxan-3-ylamino)propyl]phenol is CCC(NC1CCCOC1)c1ccccc1O.
What is the InChIKey of 2-[1-(oxan-3-ylamino)propyl]phenol?
The InChIKey is KICVYHKRPJTBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-13(12-7-3-4-8-14(12)16)15-11-6-5-9-17-10-11/h3-4,7-8,11,13,15-16H,2,5-6,9-10H2,1H3.
What are the key properties of 2-[1-(oxan-3-ylamino)propyl]phenol?
2-[1-(oxan-3-ylamino)propyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-3-ylamino)propyl]phenol is sourced from PubChem (CID 63359773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).