5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine

C14H20Cl3N — CID 106140684

IUPAC5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine
SMILESCC(C)(CCCCl)CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl3N/c1-14(2,7-4-8-15)10-18-9-11-12(16)5-3-6-13(11)17/h3,5-6,18H,4,7-10H2,1-2H3
InChIKeyUGOSJVPEKOOALZ-UHFFFAOYSA-N
MW308.68 g/mol
LogP5.13
Rot. Bonds7

About 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine

5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine (PubChem CID 106140684) has the molecular formula C14H20Cl3N and a molecular weight of 308.68 g/mol. Its IUPAC name is 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine
PubChem CID106140684
Molecular FormulaC14H20Cl3N
Molecular Weight308.68 g/mol
Exact Mass307.07
IUPAC Name5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine
SMILESCC(C)(CCCCl)CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl3N/c1-14(2,7-4-8-15)10-18-9-11-12(16)5-3-6-13(11)17/h3,5-6,18H,4,7-10H2,1-2H3
InChIKeyUGOSJVPEKOOALZ-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.68
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-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

N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
Clobenzorex
CID 735998
Benzenemethanamine, 4-chloro-N-methyl-
CID 66905
Benzenemethanamine, 3-chloro-N-methyl-
CID 122721
Benzenemethanamine, 2-chloro-N-methyl-
CID 66754
4-Chloro-N-pentylbenzenemethanamine
CID 2466110
Benzenemethanamine, 2,4-dichloro-N-methyl-
CID 485424
Benzenemethanamine, 2,6-dichloro-N-methyl-
CID 485433
Benzenemethanamine, 2-chloro-N-ethyl-6-fluoro-
CID 3034945
N-(2-chlorobenzyl)-1-phenylpropan-2-amine hydrochloride
CID 160796
N-(3-Chlorobenzyl)ethanamine
CID 457583
N-[(2,6-dichlorophenyl)methyl]acetamide
CID 602663

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine (CID 106140684) is 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine is CC(C)(CCCCl)CNCc1c(Cl)cccc1Cl.
What is the InChIKey of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine?
The InChIKey is UGOSJVPEKOOALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl3N/c1-14(2,7-4-8-15)10-18-9-11-12(16)5-3-6-13(11)17/h3,5-6,18H,4,7-10H2,1-2H3.
What are the key properties of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine?
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine has a molecular weight of 308.68 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 106140684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).