(1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine

C15H22N4O — CID 81371019

IUPAC(1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCOc1ccc([C@@H](C)NCc2ncnn2C(C)C)cc1
InChIInChI=1S/C15H22N4O/c1-11(2)19-15(17-10-18-19)9-16-12(3)13-5-7-14(20-4)8-6-13/h5-8,10-12,16H,9H2,1-4H3/t12-/m1/s1
InChIKeyHZQCQFZQMQNCJK-GFCCVEGCSA-N
MW274.37 g/mol
LogP2.72
Rot. Bonds6

About (1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine

(1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 81371019) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID81371019
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCOc1ccc([C@@H](C)NCc2ncnn2C(C)C)cc1
InChIInChI=1S/C15H22N4O/c1-11(2)19-15(17-10-18-19)9-16-12(3)13-5-7-14(20-4)8-6-13/h5-8,10-12,16H,9H2,1-4H3/t12-/m1/s1
InChIKeyHZQCQFZQMQNCJK-GFCCVEGCSA-N
XLogP2.72
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81387684
1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 66243851
N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762173
(1R)-1-[4-(difluoromethylsulfanyl)phenyl]-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 97323173
(1S)-1-(3-methoxyphenyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 81354542
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417
(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042566
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717
1-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63001836
(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867137
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103792828

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 81371019) is (1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine is COc1ccc([C@@H](C)NCc2ncnn2C(C)C)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is HZQCQFZQMQNCJK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)19-15(17-10-18-19)9-16-12(3)13-5-7-14(20-4)8-6-13/h5-8,10-12,16H,9H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
(1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 274.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 81371019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).