N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine

C13H18N4 — CID 115682110

IUPACN-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine
SMILESCC(CNCc1cnnn1C)c1ccccc1
InChIInChI=1S/C13H18N4/c1-11(12-6-4-3-5-7-12)8-14-9-13-10-15-16-17(13)2/h3-7,10-11,14H,8-9H2,1-2H3
InChIKeyBGWRLYJEHIFMLR-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.71
Rot. Bonds5

About N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine

N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine (PubChem CID 115682110) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine
PubChem CID115682110
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine
SMILESCC(CNCc1cnnn1C)c1ccccc1
InChIInChI=1S/C13H18N4/c1-11(12-6-4-3-5-7-12)8-14-9-13-10-15-16-17(13)2/h3-7,10-11,14H,8-9H2,1-2H3
InChIKeyBGWRLYJEHIFMLR-UHFFFAOYSA-N
XLogP1.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine
CID 115682087
(2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol
CID 113257729
3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 114691554
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine
CID 115682285
1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682035
N-[(3-methyltriazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 115682173
1-methyl-5-[(2-phenylpropylamino)methyl]pyrazole-4-carboxylic acid
CID 116631545
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine
CID 104591492
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
(1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 103739296
1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682172

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine (CID 115682110) is N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine is CC(CNCc1cnnn1C)c1ccccc1.
What is the InChIKey of N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine?
The InChIKey is BGWRLYJEHIFMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11(12-6-4-3-5-7-12)8-14-9-13-10-15-16-17(13)2/h3-7,10-11,14H,8-9H2,1-2H3.
What are the key properties of N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine?
N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine has a molecular weight of 230.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 115682110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).