N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine

C18H23NO2 — CID 63504622

IUPACN-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
SMILESCCC(C)NCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-15(2)19-13-14-20-16-9-11-18(12-10-16)21-17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyKPIZUTDFVNHABD-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.25
Rot. Bonds8

About N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine

N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine (PubChem CID 63504622) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
PubChem CID63504622
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
SMILESCCC(C)NCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-15(2)19-13-14-20-16-9-11-18(12-10-16)21-17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyKPIZUTDFVNHABD-UHFFFAOYSA-N
XLogP4.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine
CID 63516697
(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
CID 2299919
N-[2-(4-ethylphenoxy)ethyl]butan-2-amine
CID 54802109
N-[2-(4-propylphenoxy)ethyl]butan-2-amine
CID 62584206
1-(4-phenoxyphenoxy)-N-propylpropan-2-amine
CID 63474715
N-(2-phenoxyethyl)octan-2-amine
CID 60689825
(2S)-N-[3-[4-[(2R)-butan-2-yl]phenoxy]propyl]butan-2-amine
CID 2182699
(2R)-N-[2-(4-nitrophenoxy)ethyl]butan-2-amine
CID 2182561
4-methyl-N-(3-phenoxypropyl)pentan-2-amine
CID 62380766
N-[(2S)-butan-2-yl]-4-(4-propoxyphenoxy)butan-1-amine
CID 2183457
1-chloro-N-(3-phenoxypropyl)propan-2-amine
CID 65026073
(1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol
CID 76965912

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine?
The IUPAC name of N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine (CID 63504622) is N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine is CCC(C)NCCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine?
The InChIKey is KPIZUTDFVNHABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-15(2)19-13-14-20-16-9-11-18(12-10-16)21-17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3.
What are the key properties of N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine?
N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine is sourced from PubChem (CID 63504622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).