(1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine

C16H24N4 — CID 97334253

IUPAC(1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCc1nnc(CN[C@H](C)c2cccc(C)c2C)n1C
InChIInChI=1S/C16H24N4/c1-6-15-18-19-16(20(15)5)10-17-13(4)14-9-7-8-11(2)12(14)3/h7-9,13,17H,6,10H2,1-5H3/t13-/m1/s1
InChIKeyJTCHFLFDAYNSBF-CYBMUJFWSA-N
MW272.40 g/mol
LogP2.85
Rot. Bonds5

About (1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine

(1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 97334253) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is (1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID97334253
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name(1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCc1nnc(CN[C@H](C)c2cccc(C)c2C)n1C
InChIInChI=1S/C16H24N4/c1-6-15-18-19-16(20(15)5)10-17-13(4)14-9-7-8-11(2)12(14)3/h7-9,13,17H,6,10H2,1-5H3/t13-/m1/s1
InChIKeyJTCHFLFDAYNSBF-CYBMUJFWSA-N
XLogP2.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

(1R)-1-(2-bromophenyl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81383502
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 60694660
N-[1-(2,3-dimethylphenyl)ethyl]prop-2-yn-1-amine
CID 115706898
(E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine
CID 115890252
(1S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 97333335
2-[1-(2,3-dimethylphenyl)ethylamino]propane-1,3-diol
CID 115724144
N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine
CID 115705431
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 97333778
(1S)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81409230
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)ethanamine
CID 43535659
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380739

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 97334253) is (1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is CCc1nnc(CN[C@H](C)c2cccc(C)c2C)n1C.
What is the InChIKey of (1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is JTCHFLFDAYNSBF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4/c1-6-15-18-19-16(20(15)5)10-17-13(4)14-9-7-8-11(2)12(14)3/h7-9,13,17H,6,10H2,1-5H3/t13-/m1/s1.
What are the key properties of (1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
(1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 272.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dimethylphenyl)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 97334253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).