2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine

C12H17ClFN — CID 62596396

IUPAC2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(C)c1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFN/c1-4-15-8-12(2,3)11-9(13)6-5-7-10(11)14/h5-7,15H,4,8H2,1-3H3
InChIKeyDJIYBXMBALUDRS-UHFFFAOYSA-N
MW229.73 g/mol
LogP3.37
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine

2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 62596396) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
PubChem CID62596396
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(C)c1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFN/c1-4-15-8-12(2,3)11-9(13)6-5-7-10(11)14/h5-7,15H,4,8H2,1-3H3
InChIKeyDJIYBXMBALUDRS-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(2-fluorophenyl)-2-methylpropan-1-amine
CID 62596416
3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide
CID 119777725
2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63517002
2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine
CID 63516841
N-tert-butyl-2-(2,6-dichlorophenyl)-2-methylpropan-1-amine
CID 55195552
3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62723528
2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120991102
N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 97218335
2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine
CID 83107385
3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol
CID 82471989
2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 63507037
2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine
CID 63515341

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine (CID 62596396) is 2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine is CCNCC(C)(C)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is DJIYBXMBALUDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN/c1-4-15-8-12(2,3)11-9(13)6-5-7-10(11)14/h5-7,15H,4,8H2,1-3H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine?
2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 229.73 g/mol, XLogP of 3.37, 4 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)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 62596396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).