3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine

C12H16ClN5 — CID 44539861

IUPAC3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1ccccc1Cl)n1nnc(C)n1
InChIInChI=1S/C12H16ClN5/c1-9-15-17-18(16-9)12(7-8-14-2)10-5-3-4-6-11(10)13/h3-6,12,14H,7-8H2,1-2H3
InChIKeyMJDUMXWFMPBDNL-UHFFFAOYSA-N
MW265.75 g/mol
LogP1.83
Rot. Bonds5

About 3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine

3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine (PubChem CID 44539861) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
PubChem CID44539861
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1ccccc1Cl)n1nnc(C)n1
InChIInChI=1S/C12H16ClN5/c1-9-15-17-18(16-9)12(7-8-14-2)10-5-3-4-6-11(10)13/h3-6,12,14H,7-8H2,1-2H3
InChIKeyMJDUMXWFMPBDNL-UHFFFAOYSA-N
XLogP1.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H-tetrazol-2-yl)propan-1-amine
CID 44539967
3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
CID 44539968
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(5-methyltetrazol-2-yl)propan-1-amine
CID 44540610
3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
CID 44540992
(3R)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
CID 44541076
2-(2-chlorophenyl)-1-(2H-tetrazol-5-yl)ethanamine
CID 327635
3-(3,4-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
CID 49834195
N-methyl-3-(5-methyltetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine
CID 49834196
N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 59614691
3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
CID 59614699
5-[(2-Chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole
CID 143805437
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 61851529

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine (CID 44539861) is 3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine is CNCCC(c1ccccc1Cl)n1nnc(C)n1.
What is the InChIKey of 3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
The InChIKey is MJDUMXWFMPBDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-9-15-17-18(16-9)12(7-8-14-2)10-5-3-4-6-11(10)13/h3-6,12,14H,7-8H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine has a molecular weight of 265.75 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine is sourced from PubChem (CID 44539861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).