N-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine

C14H20N4 — CID 112735791

IUPACN-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1cn(C)nn1
InChIInChI=1S/C14H20N4/c1-3-15-13(14-11-18(2)17-16-14)10-9-12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10H2,1-2H3
InChIKeyAJAITKQGSAGWKJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.10
Rot. Bonds6

About N-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine

N-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine (PubChem CID 112735791) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine
PubChem CID112735791
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1cn(C)nn1
InChIInChI=1S/C14H20N4/c1-3-15-13(14-11-18(2)17-16-14)10-9-12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10H2,1-2H3
InChIKeyAJAITKQGSAGWKJ-UHFFFAOYSA-N
XLogP2.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 62757202
N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine
CID 63974955
N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine
CID 65195286
N-ethyl-1-(2-methoxy-3-pyridinyl)-3-phenylpropan-1-amine
CID 105094165
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 43490830
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104810
N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine
CID 103085404
1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115793778
1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine
CID 106228757
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115794160
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 105394782

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine?
The IUPAC name of N-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine (CID 112735791) is N-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine is CCNC(CCc1ccccc1)c1cn(C)nn1.
What is the InChIKey of N-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine?
The InChIKey is AJAITKQGSAGWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-15-13(14-11-18(2)17-16-14)10-9-12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10H2,1-2H3.
What are the key properties of N-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine?
N-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 112735791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).