3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine

C12H15Cl2N5 — CID 44539862

IUPAC3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1ccc(Cl)cc1Cl)n1nnc(C)n1
InChIInChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)10-4-3-9(13)7-11(10)14/h3-4,7,12,15H,5-6H2,1-2H3
InChIKeyXIZJUXCMGCZWHJ-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.49
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine

3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine (PubChem CID 44539862) has the molecular formula C12H15Cl2N5 and a molecular weight of 300.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
PubChem CID44539862
Molecular FormulaC12H15Cl2N5
Molecular Weight300.19 g/mol
Exact Mass299.07
IUPAC Name3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1ccc(Cl)cc1Cl)n1nnc(C)n1
InChIInChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)10-4-3-9(13)7-11(10)14/h3-4,7,12,15H,5-6H2,1-2H3
InChIKeyXIZJUXCMGCZWHJ-UHFFFAOYSA-N
XLogP2.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(benzotriazol-2-yl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 66677303
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol
CID 167001188
3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 59446651
1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
CID 166732164
1-[1-(2,4-dichlorophenyl)-2-[2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
CID 139707946
1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine
CID 116961551
6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913
3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile
CID 116955201
2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 43115042
1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554549
3-tert-butyl-5-chloro-4-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazole
CID 63384413
(3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride
CID 69456701

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine (CID 44539862) is 3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine is CNCCC(c1ccc(Cl)cc1Cl)n1nnc(C)n1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
The InChIKey is XIZJUXCMGCZWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)10-4-3-9(13)7-11(10)14/h3-4,7,12,15H,5-6H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine has a molecular weight of 300.19 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine is sourced from PubChem (CID 44539862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).