N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine

C18H23NO2 — CID 63516697

IUPACN-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine
SMILESCCC(C)NCCOc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-3-15(2)19-12-13-20-17-10-7-11-18(14-17)21-16-8-5-4-6-9-16/h4-11,14-15,19H,3,12-13H2,1-2H3
InChIKeyYGBIOSBXCBWTHJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.25
Rot. Bonds8

About N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine

N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine (PubChem CID 63516697) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine
PubChem CID63516697
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine
SMILESCCC(C)NCCOc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-3-15(2)19-12-13-20-17-10-7-11-18(14-17)21-16-8-5-4-6-9-16/h4-11,14-15,19H,3,12-13H2,1-2H3
InChIKeyYGBIOSBXCBWTHJ-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-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
CID 2299919
(2S)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 2182357
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine
CID 55195327
N-[2-(3-bromophenoxy)ethyl]-1-phenylpropan-2-amine
CID 63011429
N-[2-(4-ethylphenoxy)ethyl]butan-2-amine
CID 54802109
N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
CID 62597379
(2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine
CID 2184559
3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 2296967
1-(2-bromoethoxy)-3-phenoxybenzene
CID 86227563
N-(2-phenoxyethyl)octan-2-amine
CID 60689825
4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
CID 62337664

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine?
The IUPAC name of N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine (CID 63516697) is N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine is CCC(C)NCCOc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine?
The InChIKey is YGBIOSBXCBWTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-15(2)19-12-13-20-17-10-7-11-18(14-17)21-16-8-5-4-6-9-16/h4-11,14-15,19H,3,12-13H2,1-2H3.
What are the key properties of N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine?
N-[2-(3-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-(3-phenoxyphenoxy)ethyl]butan-2-amine is sourced from PubChem (CID 63516697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).