3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine

C11H15ClFN — CID 61412579

IUPAC3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
SMILESCN(CCCCl)Cc1ccccc1F
InChIInChI=1S/C11H15ClFN/c1-14(8-4-7-12)9-10-5-2-3-6-11(10)13/h2-3,5-6H,4,7-9H2,1H3
InChIKeyFTAWJISDLYTKFL-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.89
Rot. Bonds5

About 3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine

3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine (PubChem CID 61412579) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
PubChem CID61412579
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
SMILESCN(CCCCl)Cc1ccccc1F
InChIInChI=1S/C11H15ClFN/c1-14(8-4-7-12)9-10-5-2-3-6-11(10)13/h2-3,5-6H,4,7-9H2,1H3
InChIKeyFTAWJISDLYTKFL-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
CID 43574984
3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 107205019
N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 783899
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61412231
4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 60692532
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine
CID 61416820
5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid
CID 65254792
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine (CID 61412579) is 3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine is CN(CCCCl)Cc1ccccc1F.
What is the InChIKey of 3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine?
The InChIKey is FTAWJISDLYTKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-14(8-4-7-12)9-10-5-2-3-6-11(10)13/h2-3,5-6H,4,7-9H2,1H3.
What are the key properties of 3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine?
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 61412579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).