N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine

C16H24N4 — CID 105409562

IUPACN-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine
SMILESCCCn1nncc1-c1cc(CNC(C)C)ccc1C
InChIInChI=1S/C16H24N4/c1-5-8-20-16(11-18-19-20)15-9-14(7-6-13(15)4)10-17-12(2)3/h6-7,9,11-12,17H,5,8,10H2,1-4H3
InChIKeyGKDSVYFIQURWCJ-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.16
Rot. Bonds6

About N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine

N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine (PubChem CID 105409562) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine
PubChem CID105409562
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine
SMILESCCCn1nncc1-c1cc(CNC(C)C)ccc1C
InChIInChI=1S/C16H24N4/c1-5-8-20-16(11-18-19-20)15-9-14(7-6-13(15)4)10-17-12(2)3/h6-7,9,11-12,17H,5,8,10H2,1-4H3
InChIKeyGKDSVYFIQURWCJ-UHFFFAOYSA-N
XLogP3.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine
CID 114689849
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-[[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine
CID 114689873
1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine
CID 114689850
N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine
CID 105409980
N-propan-2-yl-3-propyltriazol-4-amine
CID 130486605
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine
CID 114689884
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687598
N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 105410082
N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
CID 105408477
N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105409340

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine (CID 105409562) is N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine is CCCn1nncc1-c1cc(CNC(C)C)ccc1C.
What is the InChIKey of N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine?
The InChIKey is GKDSVYFIQURWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-8-20-16(11-18-19-20)15-9-14(7-6-13(15)4)10-17-12(2)3/h6-7,9,11-12,17H,5,8,10H2,1-4H3.
What are the key properties of N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine?
N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine has a molecular weight of 272.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 105409562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).