2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine

C18H30FNO — CID 106881995

IUPAC2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine
SMILESCCCNC(c1c(C)cc(C)cc1F)C(CCC)OCC
InChIInChI=1S/C18H30FNO/c1-6-9-16(21-8-3)18(20-10-7-2)17-14(5)11-13(4)12-15(17)19/h11-12,16,18,20H,6-10H2,1-5H3
InChIKeySWURSMTXMZDNIU-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.69
Rot. Bonds9

About 2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine

2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine (PubChem CID 106881995) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine
PubChem CID106881995
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine
SMILESCCCNC(c1c(C)cc(C)cc1F)C(CCC)OCC
InChIInChI=1S/C18H30FNO/c1-6-9-16(21-8-3)18(20-10-7-2)17-14(5)11-13(4)12-15(17)19/h11-12,16,18,20H,6-10H2,1-5H3
InChIKeySWURSMTXMZDNIU-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene
CID 178088930
1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718368
1-(2,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718342
2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine
CID 116718350
N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 82985195
4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106883923
N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine
CID 106881429
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 106881532
2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116717243
1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 107513831
1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719557

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine?
The IUPAC name of 2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine (CID 106881995) is 2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine is CCCNC(c1c(C)cc(C)cc1F)C(CCC)OCC.
What is the InChIKey of 2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine?
The InChIKey is SWURSMTXMZDNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-6-9-16(21-8-3)18(20-10-7-2)17-14(5)11-13(4)12-15(17)19/h11-12,16,18,20H,6-10H2,1-5H3.
What are the key properties of 2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine?
2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 106881995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).