N-[(3-chlorophenyl)methyl]-2-fluoroethanamine

C9H11ClFN — CID 80694369

IUPACN-[(3-chlorophenyl)methyl]-2-fluoroethanamine
SMILESFCCNCc1cccc(Cl)c1
InChIInChI=1S/C9H11ClFN/c10-9-3-1-2-8(6-9)7-12-5-4-11/h1-3,6,12H,4-5,7H2
InChIKeyVSPJIRUGKDQZQC-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.40
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2-fluoroethanamine

N-[(3-chlorophenyl)methyl]-2-fluoroethanamine (PubChem CID 80694369) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-fluoroethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-fluoroethanamine
PubChem CID80694369
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC NameN-[(3-chlorophenyl)methyl]-2-fluoroethanamine
SMILESFCCNCc1cccc(Cl)c1
InChIInChI=1S/C9H11ClFN/c10-9-3-1-2-8(6-9)7-12-5-4-11/h1-3,6,12H,4-5,7H2
InChIKeyVSPJIRUGKDQZQC-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315704
N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958390
N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 75529958
N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
N-[(3-chlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206859
2-[(3-chlorophenyl)methylamino]ethanesulfonic acid
CID 18439273
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
CID 4719833
N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
CID 28710214
N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
N-[(3-chlorophenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 4712070
N-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-fluoroethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-fluoroethanamine (CID 80694369) is N-[(3-chlorophenyl)methyl]-2-fluoroethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-fluoroethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-fluoroethanamine is FCCNCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-fluoroethanamine?
The InChIKey is VSPJIRUGKDQZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c10-9-3-1-2-8(6-9)7-12-5-4-11/h1-3,6,12H,4-5,7H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-fluoroethanamine?
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine has a molecular weight of 187.65 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-fluoroethanamine is sourced from PubChem (CID 80694369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).