(3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium

C15H17ClN+ — CID 8635735

IUPAC(3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClN/c1-12-5-7-13(8-6-12)10-17-11-14-3-2-4-15(16)9-14/h2-9,17H,10-11H2,1H3/p+1
InChIKeyPMNZMWMQDHKMHM-UHFFFAOYSA-O
MW246.76 g/mol
LogP2.91
Rot. Bonds4

About (3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium

(3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium (PubChem CID 8635735) has the molecular formula C15H17ClN+ and a molecular weight of 246.76 g/mol. Its IUPAC name is (3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name(3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium
PubChem CID8635735
Molecular FormulaC15H17ClN+
Molecular Weight246.76 g/mol
Exact Mass246.10
IUPAC Name(3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClN/c1-12-5-7-13(8-6-12)10-17-11-14-3-2-4-15(16)9-14/h2-9,17H,10-11H2,1H3/p+1
InChIKeyPMNZMWMQDHKMHM-UHFFFAOYSA-O
XLogP2.91
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-3-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]benzene
CID 79447991
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
2-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 79449871
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione
CID 59903084
[3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635433
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine
CID 60713991
(4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium
CID 8898295
2-(3-chlorophenyl)ethyl-methylazanium
CID 42149679
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945758
2-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111024216
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium?
The IUPAC name of (3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium (CID 8635735) is (3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium.
What is the SMILES notation for (3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium?
The canonical SMILES for (3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium is Cc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1.
What is the InChIKey of (3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium?
The InChIKey is PMNZMWMQDHKMHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16ClN/c1-12-5-7-13(8-6-12)10-17-11-14-3-2-4-15(16)9-14/h2-9,17H,10-11H2,1H3/p+1.
What are the key properties of (3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium?
(3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium has a molecular weight of 246.76 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl-[(4-methylphenyl)methyl]azanium is sourced from PubChem (CID 8635735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).