N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine

C14H20N4 — CID 114687623

IUPACN,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine
SMILESCNC(c1cnnn1C)C(C)(C)c1ccccc1
InChIInChI=1S/C14H20N4/c1-14(2,11-8-6-5-7-9-11)13(15-3)12-10-16-17-18(12)4/h5-10,13,15H,1-4H3
InChIKeyUPYPNPUZXJRWRH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.05
Rot. Bonds4

About N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine

N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine (PubChem CID 114687623) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine
PubChem CID114687623
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine
SMILESCNC(c1cnnn1C)C(C)(C)c1ccccc1
InChIInChI=1S/C14H20N4/c1-14(2,11-8-6-5-7-9-11)13(15-3)12-10-16-17-18(12)4/h5-10,13,15H,1-4H3
InChIKeyUPYPNPUZXJRWRH-UHFFFAOYSA-N
XLogP2.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 114687624
1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 114650498
1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043741
N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114687748
N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-phenylpropan-1-amine
CID 55164089
(1S)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride
CID 167732679
1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine
CID 114688285
2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 105043304
1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687790
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine
CID 114650522
1-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 63086405
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine?
The IUPAC name of N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine (CID 114687623) is N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine is CNC(c1cnnn1C)C(C)(C)c1ccccc1.
What is the InChIKey of N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine?
The InChIKey is UPYPNPUZXJRWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-14(2,11-8-6-5-7-9-11)13(15-3)12-10-16-17-18(12)4/h5-10,13,15H,1-4H3.
What are the key properties of N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine?
N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine is sourced from PubChem (CID 114687623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).