5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine

C12H16Cl2FN — CID 107319753

IUPAC5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine
SMILESFc1ccc(Cl)c(CNCCCCCCl)c1
InChIInChI=1S/C12H16Cl2FN/c13-6-2-1-3-7-16-9-10-8-11(15)4-5-12(10)14/h4-5,8,16H,1-3,6-7,9H2
InChIKeyKYFFPHAOCSZNMT-UHFFFAOYSA-N
MW264.17 g/mol
LogP3.98
Rot. Bonds7

About 5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine

5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine (PubChem CID 107319753) has the molecular formula C12H16Cl2FN and a molecular weight of 264.17 g/mol. Its IUPAC name is 5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine
PubChem CID107319753
Molecular FormulaC12H16Cl2FN
Molecular Weight264.17 g/mol
Exact Mass263.06
IUPAC Name5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine
SMILESFc1ccc(Cl)c(CNCCCCCCl)c1
InChIInChI=1S/C12H16Cl2FN/c13-6-2-1-3-7-16-9-10-8-11(15)4-5-12(10)14/h4-5,8,16H,1-3,6-7,9H2
InChIKeyKYFFPHAOCSZNMT-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol
CID 107851583
3-(2-chloroethoxy)-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 106306235
2-bromo-N-[(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 102620250
4-[(2-chloro-5-fluorophenyl)methylamino]butanamide
CID 102615506
N-[(2-chloro-5-fluorophenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 102615537
N-[(2-chloro-5-fluorophenyl)methyl]-3-ethoxypropan-1-amine
CID 102615423
N-[(2-chloro-5-fluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 102615947
N-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 102615682
N-[(2-chloro-5-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 102616001
1-chloro-2-(3-chloropropylsulfanylmethyl)-4-fluorobenzene
CID 102622032
N-[(2-chloro-5-fluorophenyl)methyl]-2-methylsulfonylethanamine
CID 102615517
6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine
CID 107845960

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine?
The IUPAC name of 5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine (CID 107319753) is 5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine.
What is the SMILES notation for 5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine?
The canonical SMILES for 5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine is Fc1ccc(Cl)c(CNCCCCCCl)c1.
What is the InChIKey of 5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine?
The InChIKey is KYFFPHAOCSZNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2FN/c13-6-2-1-3-7-16-9-10-8-11(15)4-5-12(10)14/h4-5,8,16H,1-3,6-7,9H2.
What are the key properties of 5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine?
5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine has a molecular weight of 264.17 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine is sourced from PubChem (CID 107319753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).