[3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium

C16H19ClN+ — CID 6947758

IUPAC[3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1cccc(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClN/c1-18(2)12-15-7-3-5-13(10-15)9-14-6-4-8-16(17)11-14/h3-8,10-11H,9,12H2,1-2H3/p+1
InChIKeyCCEPELIBLFPAET-UHFFFAOYSA-O
MW260.79 g/mol
LogP2.58
Rot. Bonds4

About [3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium

[3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium (PubChem CID 6947758) has the molecular formula C16H19ClN+ and a molecular weight of 260.79 g/mol. Its IUPAC name is [3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium
PubChem CID6947758
Molecular FormulaC16H19ClN+
Molecular Weight260.79 g/mol
Exact Mass260.12
IUPAC Name[3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1cccc(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClN/c1-18(2)12-15-7-3-5-13(10-15)9-14-6-4-8-16(17)11-14/h3-8,10-11H,9,12H2,1-2H3/p+1
InChIKeyCCEPELIBLFPAET-UHFFFAOYSA-O
XLogP2.58
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

CID 24798849
CID 24798849
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1-chloro-3-(7-methyloctyl)benzene
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1-[(3-chlorophenyl)methyl]-3-nitrobenzene
CID 57038379
1-chloro-3-octylbenzene
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(3-chlorophenyl)methyl-methyl-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium
CID 9251049
[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251257
lithium (3-chlorophenyl)methylazanide
CID 142040890
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CID 140743910
CID 140743910

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium (CID 6947758) is [3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium is C[NH+](C)Cc1cccc(Cc2cccc(Cl)c2)c1.
What is the InChIKey of [3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium?
The InChIKey is CCEPELIBLFPAET-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18ClN/c1-18(2)12-15-7-3-5-13(10-15)9-14-6-4-8-16(17)11-14/h3-8,10-11H,9,12H2,1-2H3/p+1.
What are the key properties of [3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium?
[3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium has a molecular weight of 260.79 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 6947758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).