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

C13H19N5O — CID 107048734

IUPAC1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCNC(Cc1ccc(OC)cc1)Cc1nnn(C)n1
InChIInChI=1S/C13H19N5O/c1-14-11(9-13-15-17-18(2)16-13)8-10-4-6-12(19-3)7-5-10/h4-7,11,14H,8-9H2,1-3H3
InChIKeySEQNUOFEJDDOTQ-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.59
Rot. Bonds6

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

1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107048734) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107048734
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCNC(Cc1ccc(OC)cc1)Cc1nnn(C)n1
InChIInChI=1S/C13H19N5O/c1-14-11(9-13-15-17-18(2)16-13)8-10-4-6-12(19-3)7-5-10/h4-7,11,14H,8-9H2,1-3H3
InChIKeySEQNUOFEJDDOTQ-UHFFFAOYSA-N
XLogP0.59
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107065191
1-(4-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61065170
[1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 107066944
(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042566
1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051458
N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine
CID 107048946
4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107063228
4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063943
[1-(2-methyltetrazol-5-yl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 107066017
2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052945
N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine
CID 107049422
1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol
CID 107046110

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107048734) is 1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine is CNC(Cc1ccc(OC)cc1)Cc1nnn(C)n1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is SEQNUOFEJDDOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-14-11(9-13-15-17-18(2)16-13)8-10-4-6-12(19-3)7-5-10/h4-7,11,14H,8-9H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 261.33 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107048734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).