1-anilinohexadecan-1-ol

C22H39NO — CID 173133122

IUPAC1-anilinohexadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(O)Nc1ccccc1
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(24)23-21-18-15-14-16-19-21/h14-16,18-19,22-24H,2-13,17,20H2,1H3
InChIKeyMLGJFHAIOJUBEC-UHFFFAOYSA-N
MW333.56 g/mol
LogP6.90
Rot. Bonds16

About 1-anilinohexadecan-1-ol

1-anilinohexadecan-1-ol (PubChem CID 173133122) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is 1-anilinohexadecan-1-ol.

Molecular Properties

Compound Name1-anilinohexadecan-1-ol
PubChem CID173133122
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name1-anilinohexadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(O)Nc1ccccc1
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(24)23-21-18-15-14-16-19-21/h14-16,18-19,22-24H,2-13,17,20H2,1H3
InChIKeyMLGJFHAIOJUBEC-UHFFFAOYSA-N
XLogP6.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 151143089
(2S)-2-anilinooctan-1-ol
CID 135056963
N-undecan-3-ylaniline
CID 171755615
4-(1-hydroxynonylamino)benzenesulfonic acid
CID 57221182
1-N,2-N-diphenyldodecane-1,2-diamine
CID 10784226
1-anilinoheptacosan-13-ol
CID 151401190
ethyl (2R)-2-anilinotridecanoate
CID 155931058
methyl 2-anilinooctanoate
CID 54889679
1-anilinoheptan-2-ol
CID 114998464
(9R,10S)-10-anilino-9-hydroxyoctadecanoic acid
CID 98129974
2-anilinoheptanamide
CID 61005049
(1R)-1-phenyloctan-1-ol
CID 12794259

Frequently Asked Questions

What is the IUPAC name of 1-anilinohexadecan-1-ol?
The IUPAC name of 1-anilinohexadecan-1-ol (CID 173133122) is 1-anilinohexadecan-1-ol.
What is the SMILES notation for 1-anilinohexadecan-1-ol?
The canonical SMILES for 1-anilinohexadecan-1-ol is CCCCCCCCCCCCCCCC(O)Nc1ccccc1.
What is the InChIKey of 1-anilinohexadecan-1-ol?
The InChIKey is MLGJFHAIOJUBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(24)23-21-18-15-14-16-19-21/h14-16,18-19,22-24H,2-13,17,20H2,1H3.
What are the key properties of 1-anilinohexadecan-1-ol?
1-anilinohexadecan-1-ol has a molecular weight of 333.56 g/mol, XLogP of 6.90, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilinohexadecan-1-ol is sourced from PubChem (CID 173133122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).