chloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride

C15H18Cl2N3+ — CID 158791095

IUPACchloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride
SMILESCCl.C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Cl
InChIInChI=1S/C14H13N3.CH3Cl.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;1-2;/h2-8H,1H3,(H3,15,16);1H3;1H/p+1
InChIKeyFUYLEKPBHRDHID-UHFFFAOYSA-O
MW311.24 g/mol
LogP3.26
Rot. Bonds

About chloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride

chloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride (PubChem CID 158791095) has the molecular formula C15H18Cl2N3+ and a molecular weight of 311.24 g/mol. Its IUPAC name is chloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride.

Molecular Properties

Compound Namechloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride
PubChem CID158791095
Molecular FormulaC15H18Cl2N3+
Molecular Weight311.24 g/mol
Exact Mass310.09
IUPAC Namechloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride
SMILESCCl.C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Cl
InChIInChI=1S/C14H13N3.CH3Cl.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;1-2;/h2-8H,1H3,(H3,15,16);1H3;1H/p+1
InChIKeyFUYLEKPBHRDHID-UHFFFAOYSA-O
XLogP3.26
TPSA55.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

acridine-3,6-diamine;(E)-but-2-enedioic acid;10-methylacridin-10-ium-3,6-diamine;dichloride
CID 86764074
(2R,3R,4R,5R,6S)-2-[(6-amino-10-methylacridin-10-ium-3-yl)amino]-6-methyloxane-3,4,5-triol
CID 14210217
1,2-dimethylindazol-2-ium-6-amine;hydrochloride
CID 159045651
1-benzofuran-6-amine;hydrochloride
CID 119057046
ethane;naphthalen-2-amine
CID 70389802
6,7-dichloronaphthalen-2-amine
CID 70123851
N-[6-(2,2-dimethylpropanoylamino)-10-methylacridin-10-ium-3-yl]-2,2-dimethylpropanamide tetrafluoroborate
CID 164529385
5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine;propane
CID 90961020
7-chloronaphthalen-2-amine
CID 23423659
6-iodonaphthalen-2-amine;hydrochloride
CID 127258958
4-(4-aminophenyl)aniline;chloromethane
CID 174340925
10-phenylphenazin-10-ium-2,8-diamine;chloride;hydrochloride
CID 66694702

Frequently Asked Questions

What is the IUPAC name of chloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride?
The IUPAC name of chloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride (CID 158791095) is chloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride.
What is the SMILES notation for chloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride?
The canonical SMILES for chloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride is CCl.C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Cl.
What is the InChIKey of chloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride?
The InChIKey is FUYLEKPBHRDHID-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13N3.CH3Cl.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;1-2;/h2-8H,1H3,(H3,15,16);1H3;1H/p+1.
What are the key properties of chloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride?
chloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride has a molecular weight of 311.24 g/mol, XLogP of 3.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;10-methylacridin-10-ium-3,6-diamine;hydrochloride is sourced from PubChem (CID 158791095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).