N-ethyl-1-phenoxydecan-2-amine

C18H31NO — CID 63416219

IUPACN-ethyl-1-phenoxydecan-2-amine
SMILESCCCCCCCCC(COc1ccccc1)NCC
InChIInChI=1S/C18H31NO/c1-3-5-6-7-8-10-13-17(19-4-2)16-20-18-14-11-9-12-15-18/h9,11-12,14-15,17,19H,3-8,10,13,16H2,1-2H3
InChIKeyYYLONQZCPYFIQX-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.79
Rot. Bonds12

About N-ethyl-1-phenoxydecan-2-amine

N-ethyl-1-phenoxydecan-2-amine (PubChem CID 63416219) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-ethyl-1-phenoxydecan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-phenoxydecan-2-amine
PubChem CID63416219
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-ethyl-1-phenoxydecan-2-amine
SMILESCCCCCCCCC(COc1ccccc1)NCC
InChIInChI=1S/C18H31NO/c1-3-5-6-7-8-10-13-17(19-4-2)16-20-18-14-11-9-12-15-18/h9,11-12,14-15,17,19H,3-8,10,13,16H2,1-2H3
InChIKeyYYLONQZCPYFIQX-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.79
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-phenoxyhexadecan-2-amine
CID 24936576
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-phenoxydecan-2-amine?
The IUPAC name of N-ethyl-1-phenoxydecan-2-amine (CID 63416219) is N-ethyl-1-phenoxydecan-2-amine.
What is the SMILES notation for N-ethyl-1-phenoxydecan-2-amine?
The canonical SMILES for N-ethyl-1-phenoxydecan-2-amine is CCCCCCCCC(COc1ccccc1)NCC.
What is the InChIKey of N-ethyl-1-phenoxydecan-2-amine?
The InChIKey is YYLONQZCPYFIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-3-5-6-7-8-10-13-17(19-4-2)16-20-18-14-11-9-12-15-18/h9,11-12,14-15,17,19H,3-8,10,13,16H2,1-2H3.
What are the key properties of N-ethyl-1-phenoxydecan-2-amine?
N-ethyl-1-phenoxydecan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.79, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenoxydecan-2-amine is sourced from PubChem (CID 63416219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).