4-(1-aminododecyl)phenol

C18H31NO — CID 174770403

IUPAC4-(1-aminododecyl)phenol
SMILESCCCCCCCCCCCC(N)c1ccc(O)cc1
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-18(19)16-12-14-17(20)15-13-16/h12-15,18,20H,2-11,19H2,1H3
InChIKeyWYLXPJKZMGGNPE-UHFFFAOYSA-N
MW277.45 g/mol
LogP5.31
Rot. Bonds11

About 4-(1-aminododecyl)phenol

4-(1-aminododecyl)phenol (PubChem CID 174770403) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-(1-aminododecyl)phenol.

Molecular Properties

Compound Name4-(1-aminododecyl)phenol
PubChem CID174770403
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-(1-aminododecyl)phenol
SMILESCCCCCCCCCCCC(N)c1ccc(O)cc1
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-18(19)16-12-14-17(20)15-13-16/h12-15,18,20H,2-11,19H2,1H3
InChIKeyWYLXPJKZMGGNPE-UHFFFAOYSA-N
XLogP5.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-aminooctyl)aniline
CID 137458153
1-(4-iodophenyl)heptan-1-amine
CID 115833109
1-(4-ethylphenyl)decan-1-amine
CID 63412475
4-(1-hydroxytridecyl)phenol
CID 57120972
4-hexadecan-7-ylphenol
CID 71320883
1-phenyldecan-1-amine
CID 43175860
1-(4-tert-butylphenyl)decan-1-amine
CID 65449130
1-(4-tert-butylphenyl)heptan-1-amine
CID 114752279
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
4-(1-aminododecyl)-N,N-dimethylaniline
CID 154320367

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminododecyl)phenol?
The IUPAC name of 4-(1-aminododecyl)phenol (CID 174770403) is 4-(1-aminododecyl)phenol.
What is the SMILES notation for 4-(1-aminododecyl)phenol?
The canonical SMILES for 4-(1-aminododecyl)phenol is CCCCCCCCCCCC(N)c1ccc(O)cc1.
What is the InChIKey of 4-(1-aminododecyl)phenol?
The InChIKey is WYLXPJKZMGGNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-18(19)16-12-14-17(20)15-13-16/h12-15,18,20H,2-11,19H2,1H3.
What are the key properties of 4-(1-aminododecyl)phenol?
4-(1-aminododecyl)phenol has a molecular weight of 277.45 g/mol, XLogP of 5.31, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminododecyl)phenol is sourced from PubChem (CID 174770403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).