N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine

C14H21N5O2 — CID 63362886

IUPACN-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
SMILESCOc1ccc(Cn2nnnc2CNC(C)C)c(OC)c1
InChIInChI=1S/C14H21N5O2/c1-10(2)15-8-14-16-17-18-19(14)9-11-5-6-12(20-3)7-13(11)21-4/h5-7,10,15H,8-9H2,1-4H3
InChIKeyIPEREFVSWGQUIF-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.24
Rot. Bonds7

About N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine

N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 63362886) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
PubChem CID63362886
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC NameN-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
SMILESCOc1ccc(Cn2nnnc2CNC(C)C)c(OC)c1
InChIInChI=1S/C14H21N5O2/c1-10(2)15-8-14-16-17-18-19(14)9-11-5-6-12(20-3)7-13(11)21-4/h5-7,10,15H,8-9H2,1-4H3
InChIKeyIPEREFVSWGQUIF-UHFFFAOYSA-N
XLogP1.24
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737204
N-[[1-(2-chloro-5-methoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761535
N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 61267266
5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole
CID 71914265
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697735
1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43079660
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 61268180
N-[(2,4-dimethoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103886550
1-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43400133
(4S)-5-amino-4-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
CID 67333483
(2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 93046419
N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 82527870

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine (CID 63362886) is N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine is COc1ccc(Cn2nnnc2CNC(C)C)c(OC)c1.
What is the InChIKey of N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is IPEREFVSWGQUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-10(2)15-8-14-16-17-18-19(14)9-11-5-6-12(20-3)7-13(11)21-4/h5-7,10,15H,8-9H2,1-4H3.
What are the key properties of N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 291.36 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63362886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).