1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine

C16H25ClFNO — CID 103040493

IUPAC1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)C(OCC)C(C)C
InChIInChI=1S/C16H25ClFNO/c1-5-19-15(16(11(3)4)20-6-2)10-12-7-8-14(18)13(17)9-12/h7-9,11,15-16,19H,5-6,10H2,1-4H3
InChIKeyUFKWWGOXVFEMMM-UHFFFAOYSA-N
MW301.83 g/mol
LogP4.06
Rot. Bonds8

About 1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine

1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine (PubChem CID 103040493) has the molecular formula C16H25ClFNO and a molecular weight of 301.83 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
PubChem CID103040493
Molecular FormulaC16H25ClFNO
Molecular Weight301.83 g/mol
Exact Mass301.16
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)C(OCC)C(C)C
InChIInChI=1S/C16H25ClFNO/c1-5-19-15(16(11(3)4)20-6-2)10-12-7-8-14(18)13(17)9-12/h7-9,11,15-16,19H,5-6,10H2,1-4H3
InChIKeyUFKWWGOXVFEMMM-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721392
3-ethoxy-N-ethyl-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 116721457
3-(3-chloro-4-fluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine
CID 103040261
1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720190
1-(3-chloro-4-fluorophenyl)-3-methyl-N-propylbutan-2-amine
CID 103039834
1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 114932658
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 107884718
3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114348360
3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79496291
1-(2,5-dichlorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721742
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 107885188
3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 103759735

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine (CID 103040493) is 1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine is CCNC(Cc1ccc(F)c(Cl)c1)C(OCC)C(C)C.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine?
The InChIKey is UFKWWGOXVFEMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFNO/c1-5-19-15(16(11(3)4)20-6-2)10-12-7-8-14(18)13(17)9-12/h7-9,11,15-16,19H,5-6,10H2,1-4H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine?
1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine has a molecular weight of 301.83 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 103040493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).