(2,6-dichlorophenyl)methyl-propylazanium

C10H14Cl2N+ — CID 7959872

IUPAC(2,6-dichlorophenyl)methyl-propylazanium
SMILESCCC[NH2+]Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2N/c1-2-6-13-7-8-9(11)4-3-5-10(8)12/h3-5,13H,2,6-7H2,1H3/p+1
InChIKeyRWUWXULYALWAGV-UHFFFAOYSA-O
MW219.14 g/mol
LogP2.47
Rot. Bonds4

About (2,6-dichlorophenyl)methyl-propylazanium

(2,6-dichlorophenyl)methyl-propylazanium (PubChem CID 7959872) has the molecular formula C10H14Cl2N+ and a molecular weight of 219.14 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl-propylazanium.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl-propylazanium
PubChem CID7959872
Molecular FormulaC10H14Cl2N+
Molecular Weight219.14 g/mol
Exact Mass218.05
IUPAC Name(2,6-dichlorophenyl)methyl-propylazanium
SMILESCCC[NH2+]Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2N/c1-2-6-13-7-8-9(11)4-3-5-10(8)12/h3-5,13H,2,6-7H2,1H3/p+1
InChIKeyRWUWXULYALWAGV-UHFFFAOYSA-O
XLogP2.47
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.14
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-fluorophenyl)methyl-propylazanium
CID 7005037
3-chloro-2-propylphenol
CID 15747295
(2,6-dichlorophenyl)methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639757
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
3-chloro-2-(chloromethyl)-N,N-dipropylaniline
CID 28946264
1-bromo-3-chloro-2-ethylbenzene
CID 54267312
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
1,3-dichloro-2-(ethylsulfanylmethyl)benzene
CID 59881902
1-chloro-3-methoxy-2-pentylbenzene
CID 173336348
2-butyl-3-chloroaniline
CID 14012386
1-chloro-2-hexyl-3-methoxybenzene
CID 166753940
N-[(2,6-dichlorophenyl)methyl]-N-methylethanamine
CID 60516634

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl-propylazanium?
The IUPAC name of (2,6-dichlorophenyl)methyl-propylazanium (CID 7959872) is (2,6-dichlorophenyl)methyl-propylazanium.
What is the SMILES notation for (2,6-dichlorophenyl)methyl-propylazanium?
The canonical SMILES for (2,6-dichlorophenyl)methyl-propylazanium is CCC[NH2+]Cc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)methyl-propylazanium?
The InChIKey is RWUWXULYALWAGV-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13Cl2N/c1-2-6-13-7-8-9(11)4-3-5-10(8)12/h3-5,13H,2,6-7H2,1H3/p+1.
What are the key properties of (2,6-dichlorophenyl)methyl-propylazanium?
(2,6-dichlorophenyl)methyl-propylazanium has a molecular weight of 219.14 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl-propylazanium is sourced from PubChem (CID 7959872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).