2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine

C17H27ClFN — CID 63507037

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H27ClFN/c1-4-7-11-17(5-2,13-20-6-3)12-14-15(18)9-8-10-16(14)19/h8-10,20H,4-7,11-13H2,1-3H3
InChIKeyZFPTZUOWQUHIHS-UHFFFAOYSA-N
MW299.86 g/mol
LogP5.22
Rot. Bonds9

About 2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine

2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine (PubChem CID 63507037) has the molecular formula C17H27ClFN and a molecular weight of 299.86 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
PubChem CID63507037
Molecular FormulaC17H27ClFN
Molecular Weight299.86 g/mol
Exact Mass299.18
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H27ClFN/c1-4-7-11-17(5-2,13-20-6-3)12-14-15(18)9-8-10-16(14)19/h8-10,20H,4-7,11-13H2,1-3H3
InChIKeyZFPTZUOWQUHIHS-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

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63507266
2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 102619893
3-[(2-chloro-6-fluorophenyl)methyl]heptan-3-amine
CID 65020419
N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 55195481
2-[(2-chloro-6-fluorophenyl)methyl]-2-propylpropane-1,3-diol
CID 79450730
2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 114933584
2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine
CID 63508597
N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine
CID 105374931
2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 55195094
N'-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215446
2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 62596396
2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63507222

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine (CID 63507037) is 2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine is CCCCC(CC)(CNCC)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine?
The InChIKey is ZFPTZUOWQUHIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClFN/c1-4-7-11-17(5-2,13-20-6-3)12-14-15(18)9-8-10-16(14)19/h8-10,20H,4-7,11-13H2,1-3H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine?
2-[(2-chloro-6-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-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine is sourced from PubChem (CID 63507037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).