1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine

C15H23ClFNO — CID 102619350

IUPAC1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1cc(F)ccc1Cl)C(OC)C(C)C
InChIInChI=1S/C15H23ClFNO/c1-5-18-14(15(19-4)10(2)3)9-11-8-12(17)6-7-13(11)16/h6-8,10,14-15,18H,5,9H2,1-4H3
InChIKeyIQZIFHBCAUWOLU-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.67
Rot. Bonds7

About 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine

1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine (PubChem CID 102619350) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
PubChem CID102619350
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1cc(F)ccc1Cl)C(OC)C(C)C
InChIInChI=1S/C15H23ClFNO/c1-5-18-14(15(19-4)10(2)3)9-11-8-12(17)6-7-13(11)16/h6-8,10,14-15,18H,5,9H2,1-4H3
InChIKeyIQZIFHBCAUWOLU-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116720261
[1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 102623380
1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine
CID 102622959
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 102619358
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 102618580
N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine
CID 116720374
3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114348360
1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720190
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720241
1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115810544
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 102618480
1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 102619141

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine (CID 102619350) is 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine is CCNC(Cc1cc(F)ccc1Cl)C(OC)C(C)C.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The InChIKey is IQZIFHBCAUWOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-5-18-14(15(19-4)10(2)3)9-11-8-12(17)6-7-13(11)16/h6-8,10,14-15,18H,5,9H2,1-4H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine has a molecular weight of 287.81 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 102619350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).