2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine

C18H31NO2 — CID 83150831

IUPAC2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(CCOc1ccc(OC)cc1)C(C)C
InChIInChI=1S/C18H31NO2/c1-6-12-19-14-18(4,15(2)3)11-13-21-17-9-7-16(20-5)8-10-17/h7-10,15,19H,6,11-14H2,1-5H3
InChIKeyNMSLAQISTXLIRO-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.13
Rot. Bonds10

About 2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine

2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine (PubChem CID 83150831) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine
PubChem CID83150831
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(CCOc1ccc(OC)cc1)C(C)C
InChIInChI=1S/C18H31NO2/c1-6-12-19-14-18(4,15(2)3)11-13-21-17-9-7-16(20-5)8-10-17/h7-10,15,19H,6,11-14H2,1-5H3
InChIKeyNMSLAQISTXLIRO-UHFFFAOYSA-N
XLogP4.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.13
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-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine
CID 83151570
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
5-(4-methoxyphenoxy)-N-propylpentan-1-amine
CID 55077240
1-[2-(4-methoxyphenoxy)ethylamino]-2-methylpropane-2-thiol
CID 13049074
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine
CID 106141180
2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641027
1-[3,3-bis(bromomethyl)-4-methylpentoxy]-4-methoxybenzene
CID 79456113
2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 106292101
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine
CID 113253720
1-bromo-4-[3-(bromomethyl)-3,4-dimethylpentoxy]benzene
CID 83152114
N-ethyl-2-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83159390

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine (CID 83150831) is 2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine is CCCNCC(C)(CCOc1ccc(OC)cc1)C(C)C.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is NMSLAQISTXLIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-12-19-14-18(4,15(2)3)11-13-21-17-9-7-16(20-5)8-10-17/h7-10,15,19H,6,11-14H2,1-5H3.
What are the key properties of 2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine?
2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 83150831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).