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

C13H18N4 — CID 62755644

IUPACN-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine
SMILESCCC(NCc1cn(C)nn1)c1ccccc1
InChIInChI=1S/C13H18N4/c1-3-13(11-7-5-4-6-8-11)14-9-12-10-17(2)16-15-12/h4-8,10,13-14H,3,9H2,1-2H3
InChIKeyGHYCCBGRJCFOPQ-UHFFFAOYSA-N
MW230.32 g/mol
LogP2.06
Rot. Bonds5

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

N-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine (PubChem CID 62755644) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine
PubChem CID62755644
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine
SMILESCCC(NCc1cn(C)nn1)c1ccccc1
InChIInChI=1S/C13H18N4/c1-3-13(11-7-5-4-6-8-11)14-9-12-10-17(2)16-15-12/h4-8,10,13-14H,3,9H2,1-2H3
InChIKeyGHYCCBGRJCFOPQ-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(1-methyltriazol-4-yl)methyl]-1-phenylethanamine
CID 79033159
(1R)-N-[(1-methyltriazol-4-yl)methyl]-1-phenylethanamine
CID 79032580
N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
CID 107048557
N-[(1-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 62757202
(2S)-2-[(1-methyltriazol-4-yl)methylamino]butan-1-ol
CID 104980852
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-phenylpropan-1-amine
CID 83090335
N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine
CID 107064091
1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 107041224
N-ethyl-1-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 107045562
(1S)-1-(3-bromophenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 81381613
(1S)-1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 81397730
2-[(1-phenylpropylamino)methyl]phenol
CID 62305715

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine (CID 62755644) is N-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine is CCC(NCc1cn(C)nn1)c1ccccc1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine?
The InChIKey is GHYCCBGRJCFOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-13(11-7-5-4-6-8-11)14-9-12-10-17(2)16-15-12/h4-8,10,13-14H,3,9H2,1-2H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine?
N-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine has a molecular weight of 230.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 62755644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).