1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine

C15H23ClFNO — CID 116717748

IUPAC1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
SMILESCCCC(OCC)C(Cc1c(F)cccc1Cl)NC
InChIInChI=1S/C15H23ClFNO/c1-4-7-15(19-5-2)14(18-3)10-11-12(16)8-6-9-13(11)17/h6,8-9,14-15,18H,4-5,7,10H2,1-3H3
InChIKeyQKCCKWMRGPCJKF-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.81
Rot. Bonds8

About 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine

1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine (PubChem CID 116717748) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
PubChem CID116717748
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
SMILESCCCC(OCC)C(Cc1c(F)cccc1Cl)NC
InChIInChI=1S/C15H23ClFNO/c1-4-7-15(19-5-2)14(18-3)10-11-12(16)8-6-9-13(11)17/h6,8-9,14-15,18H,4-5,7,10H2,1-3H3
InChIKeyQKCCKWMRGPCJKF-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718291
1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 114932646
1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
CID 103049120
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987218
1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine
CID 116724461
N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine
CID 146174762
1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 116759886
4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291231
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105106068
[1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271512
[1-(2-chloro-6-fluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105215968

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine (CID 116717748) is 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine is CCCC(OCC)C(Cc1c(F)cccc1Cl)NC.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine?
The InChIKey is QKCCKWMRGPCJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-4-7-15(19-5-2)14(18-3)10-11-12(16)8-6-9-13(11)17/h6,8-9,14-15,18H,4-5,7,10H2,1-3H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine?
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine has a molecular weight of 287.81 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine is sourced from PubChem (CID 116717748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).