2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine

C16H25ClFN — CID 103049706

IUPAC2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)(CNC)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H25ClFN/c1-4-6-9-16(5-2,12-19-3)11-13-10-14(17)7-8-15(13)18/h7-8,10,19H,4-6,9,11-12H2,1-3H3
InChIKeyOSINFOPZJRBOMW-UHFFFAOYSA-N
MW285.83 g/mol
LogP4.83
Rot. Bonds8

About 2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine

2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine (PubChem CID 103049706) has the molecular formula C16H25ClFN and a molecular weight of 285.83 g/mol. Its IUPAC name is 2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
PubChem CID103049706
Molecular FormulaC16H25ClFN
Molecular Weight285.83 g/mol
Exact Mass285.17
IUPAC Name2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)(CNC)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H25ClFN/c1-4-6-9-16(5-2,12-19-3)11-13-10-14(17)7-8-15(13)18/h7-8,10,19H,4-6,9,11-12H2,1-3H3
InChIKeyOSINFOPZJRBOMW-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.83
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-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

2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 63507726
2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 63509806
2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 55195094
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 65318481
3-[(5-chloro-2-fluorophenyl)methyl]heptan-3-amine
CID 103050992
2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol
CID 66059544
2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 102619893
N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine
CID 63508094
2-ethyl-2-[(4-iodophenyl)methyl]-N-methylhexan-1-amine
CID 65489923
2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol
CID 106506364
2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine
CID 62723225
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 65318529

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
The IUPAC name of 2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine (CID 103049706) is 2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine.
What is the SMILES notation for 2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
The canonical SMILES for 2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine is CCCCC(CC)(CNC)Cc1cc(Cl)ccc1F.
What is the InChIKey of 2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
The InChIKey is OSINFOPZJRBOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN/c1-4-6-9-16(5-2,12-19-3)11-13-10-14(17)7-8-15(13)18/h7-8,10,19H,4-6,9,11-12H2,1-3H3.
What are the key properties of 2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine has a molecular weight of 285.83 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine is sourced from PubChem (CID 103049706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).