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

C16H26FNO — CID 116717243

IUPAC2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(F)c(C)c1)C(CC)OCC
InChIInChI=1S/C16H26FNO/c1-5-10-18-16(15(6-2)19-7-3)13-8-9-14(17)12(4)11-13/h8-9,11,15-16,18H,5-7,10H2,1-4H3
InChIKeyCXANMCSXVHVTAB-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.99
Rot. Bonds8

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

2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine (PubChem CID 116717243) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
PubChem CID116717243
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(F)c(C)c1)C(CC)OCC
InChIInChI=1S/C16H26FNO/c1-5-10-18-16(15(6-2)19-7-3)13-8-9-14(17)12(4)11-13/h8-9,11,15-16,18H,5-7,10H2,1-4H3
InChIKeyCXANMCSXVHVTAB-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726046
1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718368
1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717237
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-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719516
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721756
1-(3-bromo-2,6-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 106943029
2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116717137
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717024
2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116760388
2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine
CID 116718350

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine (CID 116717243) is 2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine is CCCNC(c1ccc(F)c(C)c1)C(CC)OCC.
What is the InChIKey of 2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine?
The InChIKey is CXANMCSXVHVTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-10-18-16(15(6-2)19-7-3)13-8-9-14(17)12(4)11-13/h8-9,11,15-16,18H,5-7,10H2,1-4H3.
What are the key properties of 2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine?
2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.99, 8 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)-N-propylbutan-1-amine is sourced from PubChem (CID 116717243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).