2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine

C10H13ClFN — CID 61286506

IUPAC2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCCl)Cc1cccc(F)c1
InChIInChI=1S/C10H13ClFN/c1-13(6-5-11)8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3
InChIKeyQKYAUEVYDPCYHZ-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.50
Rot. Bonds4

About 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine

2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine (PubChem CID 61286506) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
PubChem CID61286506
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCCl)Cc1cccc(F)c1
InChIInChI=1S/C10H13ClFN/c1-13(6-5-11)8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3
InChIKeyQKYAUEVYDPCYHZ-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.50
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

N-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
CID 63386534
9-[(3-fluorophenyl)methyl-methylamino]nonane-1-thiol
CID 105344035
N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62573436
2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 115257984
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
CID 28971589
4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 28946499
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62418448
1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 55050971
1-(4-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650420
N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106707877
N-[(6-chloro-3-pyridinyl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 28802343
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine (CID 61286506) is 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine is CN(CCCl)Cc1cccc(F)c1.
What is the InChIKey of 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The InChIKey is QKYAUEVYDPCYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-13(6-5-11)8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine has a molecular weight of 201.67 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 61286506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).