N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride

C10H14Cl3N — CID 17290865

IUPACN-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
SMILESCCCNCc1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C10H13Cl2N.ClH/c1-2-6-13-7-8-9(11)4-3-5-10(8)12;/h3-5,13H,2,6-7H2,1H3;1H
InChIKeyIKSLKILHZYJJAG-UHFFFAOYSA-N
MW254.59 g/mol
LogP3.91
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride

N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride (PubChem CID 17290865) has the molecular formula C10H14Cl3N and a molecular weight of 254.59 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
PubChem CID17290865
Molecular FormulaC10H14Cl3N
Molecular Weight254.59 g/mol
Exact Mass253.02
IUPAC NameN-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
SMILESCCCNCc1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C10H13Cl2N.ClH/c1-2-6-13-7-8-9(11)4-3-5-10(8)12;/h3-5,13H,2,6-7H2,1H3;1H
InChIKeyIKSLKILHZYJJAG-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride 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-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420
N-[(2,6-dichlorophenyl)methyl]-2-[2-[(2,6-dichlorophenyl)methylamino]ethyldisulfanyl]ethanamine;hydrochloride
CID 15574751
N-[[2-chloro-6-(4-ethylphenoxy)phenyl]methyl]propan-1-amine
CID 43282834
3-[3-chloro-2-(propylaminomethyl)phenyl]sulfanylbutan-2-ol
CID 107772202
N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82940867
N-[[2-chloro-6-(2,5-dichlorophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63806289
N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine
CID 43280316
N-[[2-(4-bromophenyl)sulfanyl-6-chlorophenyl]methyl]propan-1-amine
CID 63807977
2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294838
N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43281049
N-[[2-chloro-6-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114319406

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride (CID 17290865) is N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride is CCCNCc1c(Cl)cccc1Cl.Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride?
The InChIKey is IKSLKILHZYJJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N.ClH/c1-2-6-13-7-8-9(11)4-3-5-10(8)12;/h3-5,13H,2,6-7H2,1H3;1H.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride?
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride has a molecular weight of 254.59 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 17290865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).