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

C13H18Cl2FN — CID 107205019

IUPAC5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine
SMILESCN(CCCCCCl)Cc1cc(Cl)ccc1F
InChIInChI=1S/C13H18Cl2FN/c1-17(8-4-2-3-7-14)10-11-9-12(15)5-6-13(11)16/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyKXYITULYSJJBJK-UHFFFAOYSA-N
MW278.20 g/mol
LogP4.32
Rot. Bonds7

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

5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine (PubChem CID 107205019) has the molecular formula C13H18Cl2FN and a molecular weight of 278.20 g/mol. Its IUPAC name is 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine
PubChem CID107205019
Molecular FormulaC13H18Cl2FN
Molecular Weight278.20 g/mol
Exact Mass277.08
IUPAC Name5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine
SMILESCN(CCCCCCl)Cc1cc(Cl)ccc1F
InChIInChI=1S/C13H18Cl2FN/c1-17(8-4-2-3-7-14)10-11-9-12(15)5-6-13(11)16/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyKXYITULYSJJBJK-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 115215774
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine
CID 55192519
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-N-methylpentan-1-amine
CID 107204995
5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine
CID 61416820
[(5-chloro-2-fluorophenyl)methyl-methylamino]methanol
CID 115229181
N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 115201351
3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 61414656
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpropan-1-amine
CID 115215694
N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
CID 5150681
4-[(5-chloro-2-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068329
3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119872

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine?
The IUPAC name of 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine (CID 107205019) is 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine.
What is the SMILES notation for 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine?
The canonical SMILES for 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine is CN(CCCCCCl)Cc1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine?
The InChIKey is KXYITULYSJJBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2FN/c1-17(8-4-2-3-7-14)10-11-9-12(15)5-6-13(11)16/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine?
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine has a molecular weight of 278.20 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine is sourced from PubChem (CID 107205019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).