N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine

C11H14ClN5 — CID 62737561

IUPACN-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1-c1cccc(Cl)c1
InChIInChI=1S/C11H14ClN5/c1-8(2)13-7-11-14-15-16-17(11)10-5-3-4-9(12)6-10/h3-6,8,13H,7H2,1-2H3
InChIKeyQZPZXCBEWQDXLD-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.81
Rot. Bonds4

About N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine

N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 62737561) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID62737561
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC NameN-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1-c1cccc(Cl)c1
InChIInChI=1S/C11H14ClN5/c1-8(2)13-7-11-14-15-16-17(11)10-5-3-4-9(12)6-10/h3-6,8,13H,7H2,1-2H3
InChIKeyQZPZXCBEWQDXLD-UHFFFAOYSA-N
XLogP1.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 47010886
N-[[1-(4-fluoro-3-nitrophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62735419
N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 107603620
N-[[1-[4-methyl-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-2-amine
CID 62762257
1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60671794
3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide
CID 18565850
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 55109238
N-[[1-(3-bromo-2-methylphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 107639406
N-[[1-(2-chloro-5-methoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761535
N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
N-[[1-(3-methoxyphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55109096

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine (CID 62737561) is N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine is CC(C)NCc1nnnn1-c1cccc(Cl)c1.
What is the InChIKey of N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is QZPZXCBEWQDXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-8(2)13-7-11-14-15-16-17(11)10-5-3-4-9(12)6-10/h3-6,8,13H,7H2,1-2H3.
What are the key properties of N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 251.72 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62737561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).