N,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine

C14H20N4 — CID 150009576

IUPACN,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine
SMILESCc1n[nH]nc1CCC(c1ccccc1)N(C)C
InChIInChI=1S/C14H20N4/c1-11-13(16-17-15-11)9-10-14(18(2)3)12-7-5-4-6-8-12/h4-8,14H,9-10H2,1-3H3,(H,15,16,17)
InChIKeyDCZPFJUDGYHRRB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.35
Rot. Bonds5

About N,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine

N,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine (PubChem CID 150009576) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine
PubChem CID150009576
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine
SMILESCc1n[nH]nc1CCC(c1ccccc1)N(C)C
InChIInChI=1S/C14H20N4/c1-11-13(16-17-15-11)9-10-14(18(2)3)12-7-5-4-6-8-12/h4-8,14H,9-10H2,1-3H3,(H,15,16,17)
InChIKeyDCZPFJUDGYHRRB-UHFFFAOYSA-N
XLogP2.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
CID 141341786
4-(dimethylamino)-4-phenylbutanenitrile
CID 116910022
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
N-methyl-1,3-diphenyl-N-propan-2-ylpropan-1-amine
CID 18790245
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine
CID 170602766
3-(dimethylamino)-3-(4-phenylphenyl)propan-1-ol
CID 116907655
N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide
CID 87329807

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine (CID 150009576) is N,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine is Cc1n[nH]nc1CCC(c1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine?
The InChIKey is DCZPFJUDGYHRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11-13(16-17-15-11)9-10-14(18(2)3)12-7-5-4-6-8-12/h4-8,14H,9-10H2,1-3H3,(H,15,16,17).
What are the key properties of N,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine?
N,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 150009576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).