2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine

C17H27ClFN — CID 102619893

IUPAC2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1cc(F)ccc1Cl
InChIInChI=1S/C17H27ClFN/c1-4-7-10-17(5-2,13-20-6-3)12-14-11-15(19)8-9-16(14)18/h8-9,11,20H,4-7,10,12-13H2,1-3H3
InChIKeyMGCTXWRCZKLDLP-UHFFFAOYSA-N
MW299.86 g/mol
LogP5.22
Rot. Bonds9

About 2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine

2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine (PubChem CID 102619893) has the molecular formula C17H27ClFN and a molecular weight of 299.86 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
PubChem CID102619893
Molecular FormulaC17H27ClFN
Molecular Weight299.86 g/mol
Exact Mass299.18
IUPAC Name2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1cc(F)ccc1Cl
InChIInChI=1S/C17H27ClFN/c1-4-7-10-17(5-2,13-20-6-3)12-14-11-15(19)8-9-16(14)18/h8-9,11,20H,4-7,10,12-13H2,1-3H3
InChIKeyMGCTXWRCZKLDLP-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.86
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-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

N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine
CID 105374931
N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 55195481
2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 63507037
1-chloro-2-[2-(chloromethyl)-2-ethylbutyl]-4-fluorobenzene
CID 102621280
2-[2,2-bis(bromomethyl)pentyl]-1-chloro-4-fluorobenzene
CID 102621604
2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 103049706
2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine
CID 63508597
N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine
CID 63509469
2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine
CID 65327025
2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 55195094
2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 63507726
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 65318529

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine (CID 102619893) is 2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine is CCCCC(CC)(CNCC)Cc1cc(F)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine?
The InChIKey is MGCTXWRCZKLDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClFN/c1-4-7-10-17(5-2,13-20-6-3)12-14-11-15(19)8-9-16(14)18/h8-9,11,20H,4-7,10,12-13H2,1-3H3.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine?
2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine has a molecular weight of 299.86 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine is sourced from PubChem (CID 102619893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).