4-[2-(decylamino)propyl]phenol

C19H33NO — CID 115494442

IUPAC4-[2-(decylamino)propyl]phenol
SMILESCCCCCCCCCCNC(C)Cc1ccc(O)cc1
InChIInChI=1S/C19H33NO/c1-3-4-5-6-7-8-9-10-15-20-17(2)16-18-11-13-19(21)14-12-18/h11-14,17,20-21H,3-10,15-16H2,1-2H3
InChIKeyBCZJYNCNSFDLJQ-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.05
Rot. Bonds12

About 4-[2-(decylamino)propyl]phenol

4-[2-(decylamino)propyl]phenol (PubChem CID 115494442) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 4-[2-(decylamino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(decylamino)propyl]phenol
PubChem CID115494442
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name4-[2-(decylamino)propyl]phenol
SMILESCCCCCCCCCCNC(C)Cc1ccc(O)cc1
InChIInChI=1S/C19H33NO/c1-3-4-5-6-7-8-9-10-15-20-17(2)16-18-11-13-19(21)14-12-18/h11-14,17,20-21H,3-10,15-16H2,1-2H3
InChIKeyBCZJYNCNSFDLJQ-UHFFFAOYSA-N
XLogP5.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.05
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

N-(1-phenylpropan-2-yl)hexan-1-amine
CID 10998534
4-[2-(3-fluoropropylamino)propyl]phenol
CID 110174731
(2S)-2-(hexylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 54571397
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate
CID 115494377
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
CID 115493853
4-[(nonadecylamino)methyl]phenol
CID 70039599
4-[2-[(1-propylcyclopropyl)methylamino]propyl]phenol
CID 114099628
4-(2-aminooctyl)phenol
CID 69403996
4-(2-butyltetradecyl)phenol
CID 70630098
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197

Frequently Asked Questions

What is the IUPAC name of 4-[2-(decylamino)propyl]phenol?
The IUPAC name of 4-[2-(decylamino)propyl]phenol (CID 115494442) is 4-[2-(decylamino)propyl]phenol.
What is the SMILES notation for 4-[2-(decylamino)propyl]phenol?
The canonical SMILES for 4-[2-(decylamino)propyl]phenol is CCCCCCCCCCNC(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-(decylamino)propyl]phenol?
The InChIKey is BCZJYNCNSFDLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-3-4-5-6-7-8-9-10-15-20-17(2)16-18-11-13-19(21)14-12-18/h11-14,17,20-21H,3-10,15-16H2,1-2H3.
What are the key properties of 4-[2-(decylamino)propyl]phenol?
4-[2-(decylamino)propyl]phenol has a molecular weight of 291.48 g/mol, XLogP of 5.05, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(decylamino)propyl]phenol is sourced from PubChem (CID 115494442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).