N,N-diethyl-1-phenoxypentan-1-amine

C15H25NO — CID 174914149

IUPACN,N-diethyl-1-phenoxypentan-1-amine
SMILESCCCCC(Oc1ccccc1)N(CC)CC
InChIInChI=1S/C15H25NO/c1-4-7-13-15(16(5-2)6-3)17-14-11-9-8-10-12-14/h8-12,15H,4-7,13H2,1-3H3
InChIKeyKCJFJMQYAZATTA-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.92
Rot. Bonds8

About N,N-diethyl-1-phenoxypentan-1-amine

N,N-diethyl-1-phenoxypentan-1-amine (PubChem CID 174914149) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N,N-diethyl-1-phenoxypentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-phenoxypentan-1-amine
PubChem CID174914149
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN,N-diethyl-1-phenoxypentan-1-amine
SMILESCCCCC(Oc1ccccc1)N(CC)CC
InChIInChI=1S/C15H25NO/c1-4-7-13-15(16(5-2)6-3)17-14-11-9-8-10-12-14/h8-12,15H,4-7,13H2,1-3H3
InChIKeyKCJFJMQYAZATTA-UHFFFAOYSA-N
XLogP3.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenoxypentan-1-amine
CID 68557687
(1R)-1-phenoxypentane-1-thiol
CID 134536551
tributyl(phenoxy)phosphanium
CID 23415293
undecan-6-yloxybenzene
CID 130316504
tetracosan-8-yloxybenzene
CID 154135377
(2R)-2-phenoxyhexanoic acid
CID 71401043
decan-2-yloxybenzene
CID 12838331
[2-(diethylamino)-2-phenoxyethyl] 2-methylprop-2-enoate
CID 67680774
2-phenoxyundecanal
CID 57130450
1-cyclopenta-2,4-dien-1-ylpentoxybenzene
CID 11986274
1-phenoxyhexadecan-1-ol
CID 140512988
2-[1-(dipentylamino)pentoxy]benzoic acid
CID 66774571

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenoxypentan-1-amine?
The IUPAC name of N,N-diethyl-1-phenoxypentan-1-amine (CID 174914149) is N,N-diethyl-1-phenoxypentan-1-amine.
What is the SMILES notation for N,N-diethyl-1-phenoxypentan-1-amine?
The canonical SMILES for N,N-diethyl-1-phenoxypentan-1-amine is CCCCC(Oc1ccccc1)N(CC)CC.
What is the InChIKey of N,N-diethyl-1-phenoxypentan-1-amine?
The InChIKey is KCJFJMQYAZATTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-7-13-15(16(5-2)6-3)17-14-11-9-8-10-12-14/h8-12,15H,4-7,13H2,1-3H3.
What are the key properties of N,N-diethyl-1-phenoxypentan-1-amine?
N,N-diethyl-1-phenoxypentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenoxypentan-1-amine is sourced from PubChem (CID 174914149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).