1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine

C17H29NO2 — CID 116758183

IUPAC1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(OCC)cc1)C(C)(CC)OC
InChIInChI=1S/C17H29NO2/c1-6-13-18-16(17(4,7-2)19-5)14-9-11-15(12-10-14)20-8-3/h9-12,16,18H,6-8,13H2,1-5H3
InChIKeyLGSOUAFKZSFMRK-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds9

About 1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine

1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 116758183) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
PubChem CID116758183
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(OCC)cc1)C(C)(CC)OC
InChIInChI=1S/C17H29NO2/c1-6-13-18-16(17(4,7-2)19-5)14-9-11-15(12-10-14)20-8-3/h9-12,16,18H,6-8,13H2,1-5H3
InChIKeyLGSOUAFKZSFMRK-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758237
1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758294
1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758376
1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761096
2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine
CID 116758324
1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849837
2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 63504197
1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105140802
1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43489403
3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol
CID 64812605
N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine
CID 43495185
2-ethoxy-1-(furan-3-yl)-2-methyl-N-propylbutan-1-amine
CID 116759332

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine (CID 116758183) is 1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine is CCCNC(c1ccc(OCC)cc1)C(C)(CC)OC.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is LGSOUAFKZSFMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-13-18-16(17(4,7-2)19-5)14-9-11-15(12-10-14)20-8-3/h9-12,16,18H,6-8,13H2,1-5H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116758183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).