2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine

C18H30FNO — CID 116760388

IUPAC2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(F)c(C)c1)C(CC)(CC)OCC
InChIInChI=1S/C18H30FNO/c1-6-12-20-17(18(7-2,8-3)21-9-4)15-10-11-16(19)14(5)13-15/h10-11,13,17,20H,6-9,12H2,1-5H3
InChIKeyURMNLDVANVWYCM-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.77
Rot. Bonds9

About 2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine

2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine (PubChem CID 116760388) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
PubChem CID116760388
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(F)c(C)c1)C(CC)(CC)OCC
InChIInChI=1S/C18H30FNO/c1-6-12-20-17(18(7-2,8-3)21-9-4)15-10-11-16(19)14(5)13-15/h10-11,13,17,20H,6-9,12H2,1-5H3
InChIKeyURMNLDVANVWYCM-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
CID 62121338
2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine
CID 116760420
2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 116760343
N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 60929622
[2-ethoxy-1-(4-fluoro-3-methylphenyl)-2-methylpropyl]hydrazine
CID 105273981
[1-(3,4-difluorophenyl)-2-ethoxy-2-ethylbutyl]hydrazine
CID 105275083
2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116717243
2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726046
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244
4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 64565153
2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile
CID 62121158

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine (CID 116760388) is 2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine is CCCNC(c1ccc(F)c(C)c1)C(CC)(CC)OCC.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine?
The InChIKey is URMNLDVANVWYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-6-12-20-17(18(7-2,8-3)21-9-4)15-10-11-16(19)14(5)13-15/h10-11,13,17,20H,6-9,12H2,1-5H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine?
2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 116760388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).