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

C10H12Cl2FN — CID 102620150

IUPAC2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
SMILESCC(Cl)CNCc1cc(F)ccc1Cl
InChIInChI=1S/C10H12Cl2FN/c1-7(11)5-14-6-8-4-9(13)2-3-10(8)12/h2-4,7,14H,5-6H2,1H3
InChIKeyXJWXLMXZLURGMZ-UHFFFAOYSA-N
MW236.12 g/mol
LogP3.20
Rot. Bonds4

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

2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine (PubChem CID 102620150) has the molecular formula C10H12Cl2FN and a molecular weight of 236.12 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
PubChem CID102620150
Molecular FormulaC10H12Cl2FN
Molecular Weight236.12 g/mol
Exact Mass235.03
IUPAC Name2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
SMILESCC(Cl)CNCc1cc(F)ccc1Cl
InChIInChI=1S/C10H12Cl2FN/c1-7(11)5-14-6-8-4-9(13)2-3-10(8)12/h2-4,7,14H,5-6H2,1H3
InChIKeyXJWXLMXZLURGMZ-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 53.20
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-[(2-chloro-5-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 102615662
1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol
CID 102615984
N-[(2-chloro-5-fluorophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 102615629
N-[(2-chloro-5-fluorophenyl)methyl]prop-2-yn-1-amine
CID 102615324
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 102615547
1-chloro-2-(3-chlorobutyl)-4-fluorobenzene
CID 105395959
2-bromo-N-[(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 102620250
2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol
CID 102615479
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103461305
N-[(2-chloro-5-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 102616001
N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106291281
2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid
CID 102616791

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine (CID 102620150) is 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine is CC(Cl)CNCc1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine?
The InChIKey is XJWXLMXZLURGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2FN/c1-7(11)5-14-6-8-4-9(13)2-3-10(8)12/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine?
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine has a molecular weight of 236.12 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 102620150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).