2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine

C16H25N5 — CID 107053332

IUPAC2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)(C)C)Cc2nnn(C)n2)c1
InChIInChI=1S/C16H25N5/c1-12-7-6-8-13(9-12)14(11-17-16(2,3)4)10-15-18-20-21(5)19-15/h6-9,14,17H,10-11H2,1-5H3
InChIKeyNUGFHYHCJPQEKK-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.23
Rot. Bonds5

About 2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine

2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine (PubChem CID 107053332) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine
PubChem CID107053332
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)(C)C)Cc2nnn(C)n2)c1
InChIInChI=1S/C16H25N5/c1-12-7-6-8-13(9-12)14(11-17-16(2,3)4)10-15-18-20-21(5)19-15/h6-9,14,17H,10-11H2,1-5H3
InChIKeyNUGFHYHCJPQEKK-UHFFFAOYSA-N
XLogP2.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053428
N-[3-(furan-2-yl)-2-(3-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79416841
2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
CID 115979447
2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine
CID 79416933
N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049673
N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine
CID 107052906
N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052981
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 82870237
(1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol
CID 129402782
N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107048370
1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048405
1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045900

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine (CID 107053332) is 2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine is Cc1cccc(C(CNC(C)(C)C)Cc2nnn(C)n2)c1.
What is the InChIKey of 2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine?
The InChIKey is NUGFHYHCJPQEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-12-7-6-8-13(9-12)14(11-17-16(2,3)4)10-15-18-20-21(5)19-15/h6-9,14,17H,10-11H2,1-5H3.
What are the key properties of 2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine?
2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine is sourced from PubChem (CID 107053332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).