2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine

C13H12ClF2N — CID 23656681

IUPAC2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine
SMILESFC(F)(Cl)CNCc1cccc2ccccc12
InChIInChI=1S/C13H12ClF2N/c14-13(15,16)9-17-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,17H,8-9H2
InChIKeyAVEFINQMOUQUAY-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.76
Rot. Bonds4

About 2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine

2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine (PubChem CID 23656681) has the molecular formula C13H12ClF2N and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine
PubChem CID23656681
Molecular FormulaC13H12ClF2N
Molecular Weight255.70 g/mol
Exact Mass255.06
IUPAC Name2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine
SMILESFC(F)(Cl)CNCc1cccc2ccccc12
InChIInChI=1S/C13H12ClF2N/c14-13(15,16)9-17-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,17H,8-9H2
InChIKeyAVEFINQMOUQUAY-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N-[(2,6-difluorophenyl)methyl]-1-naphthalen-1-ylmethanamine
CID 62047867
2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 81419243
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
methyl 2,2-dimethyl-3-(naphthalen-1-ylmethylamino)propanoate
CID 79623968
2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526416
1-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride
CID 17289839
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
N-(naphthalen-1-ylmethyl)but-2-yn-1-amine
CID 62369584
CID 59694789
CID 59694789

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine (CID 23656681) is 2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine is FC(F)(Cl)CNCc1cccc2ccccc12.
What is the InChIKey of 2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine?
The InChIKey is AVEFINQMOUQUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N/c14-13(15,16)9-17-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,17H,8-9H2.
What are the key properties of 2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine?
2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine has a molecular weight of 255.70 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 23656681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).