N-ethyl-1-phenoxyhexadecan-2-amine

C24H43NO — CID 24936576

IUPACN-ethyl-1-phenoxyhexadecan-2-amine
SMILESCCCCCCCCCCCCCCC(COc1ccccc1)NCC
InChIInChI=1S/C24H43NO/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-23(25-4-2)22-26-24-20-17-15-18-21-24/h15,17-18,20-21,23,25H,3-14,16,19,22H2,1-2H3
InChIKeyYKAOLTIUUKLODB-UHFFFAOYSA-N
MW361.61 g/mol
LogP7.13
Rot. Bonds18

About N-ethyl-1-phenoxyhexadecan-2-amine

N-ethyl-1-phenoxyhexadecan-2-amine (PubChem CID 24936576) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is N-ethyl-1-phenoxyhexadecan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-phenoxyhexadecan-2-amine
PubChem CID24936576
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC NameN-ethyl-1-phenoxyhexadecan-2-amine
SMILESCCCCCCCCCCCCCCC(COc1ccccc1)NCC
InChIInChI=1S/C24H43NO/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-23(25-4-2)22-26-24-20-17-15-18-21-24/h15,17-18,20-21,23,25H,3-14,16,19,22H2,1-2H3
InChIKeyYKAOLTIUUKLODB-UHFFFAOYSA-N
XLogP7.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-phenoxydecan-2-amine
CID 63416219
1-phenoxy-N-propyldecan-2-amine
CID 63416663
N-methyl-1-phenoxynonan-2-amine
CID 63416660
1-phenoxydecan-2-ylhydrazine
CID 105212962
1-(3-chlorophenoxy)-N-ethylnonan-2-amine
CID 105124587
1-(4-chlorophenoxy)-N-ethylhexan-2-amine
CID 105125264
4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
CID 115001987
N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine
CID 64566607
N-ethyl-4-methyl-1-phenoxyheptan-2-amine
CID 62715859
1-phenoxy-N-propylnonan-3-amine
CID 63414499
2,6-dimethyldodecoxybenzene
CID 163303723
1-phenoxytetradecan-2-ol
CID 11609222

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenoxyhexadecan-2-amine?
The IUPAC name of N-ethyl-1-phenoxyhexadecan-2-amine (CID 24936576) is N-ethyl-1-phenoxyhexadecan-2-amine.
What is the SMILES notation for N-ethyl-1-phenoxyhexadecan-2-amine?
The canonical SMILES for N-ethyl-1-phenoxyhexadecan-2-amine is CCCCCCCCCCCCCCC(COc1ccccc1)NCC.
What is the InChIKey of N-ethyl-1-phenoxyhexadecan-2-amine?
The InChIKey is YKAOLTIUUKLODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-23(25-4-2)22-26-24-20-17-15-18-21-24/h15,17-18,20-21,23,25H,3-14,16,19,22H2,1-2H3.
What are the key properties of N-ethyl-1-phenoxyhexadecan-2-amine?
N-ethyl-1-phenoxyhexadecan-2-amine has a molecular weight of 361.61 g/mol, XLogP of 7.13, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenoxyhexadecan-2-amine is sourced from PubChem (CID 24936576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).