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

C18H30FNO — CID 116726046

IUPAC2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(F)c(C)c1)C(OCC)C(C)(C)C
InChIInChI=1S/C18H30FNO/c1-7-11-20-16(17(21-8-2)18(4,5)6)14-9-10-15(19)13(3)12-14/h9-10,12,16-17,20H,7-8,11H2,1-6H3
InChIKeyYDLYFCNPWBRQOK-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.63
Rot. Bonds7

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

2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine (PubChem CID 116726046) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
PubChem CID116726046
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(F)c(C)c1)C(OCC)C(C)(C)C
InChIInChI=1S/C18H30FNO/c1-7-11-20-16(17(21-8-2)18(4,5)6)14-9-10-15(19)13(3)12-14/h9-10,12,16-17,20H,7-8,11H2,1-6H3
InChIKeyYDLYFCNPWBRQOK-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116717243
1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 116725875
1-(4-chloro-2-fluorophenyl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116725980
1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine
CID 116725660
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721756
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
CID 62121338
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244
2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116760388
1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718368
4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 64565153
2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116725959

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine (CID 116726046) is 2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine is CCCNC(c1ccc(F)c(C)c1)C(OCC)C(C)(C)C.
What is the InChIKey of 2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is YDLYFCNPWBRQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-7-11-20-16(17(21-8-2)18(4,5)6)14-9-10-15(19)13(3)12-14/h9-10,12,16-17,20H,7-8,11H2,1-6H3.
What are the key properties of 2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 116726046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).