N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine

C15H22N4 — CID 114687476

IUPACN-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1)c1cnnn1C
InChIInChI=1S/C15H22N4/c1-4-9-16-14(15-11-17-18-19(15)3)10-13-7-5-12(2)6-8-13/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyHFUAVYRVLSCTHP-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.41
Rot. Bonds6

About N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine

N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine (PubChem CID 114687476) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
PubChem CID114687476
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1)c1cnnn1C
InChIInChI=1S/C15H22N4/c1-4-9-16-14(15-11-17-18-19(15)3)10-13-7-5-12(2)6-8-13/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyHFUAVYRVLSCTHP-UHFFFAOYSA-N
XLogP2.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687519
1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 114687206
N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63976175
1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine
CID 105043647
3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
CID 105043705
N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine
CID 114688885
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783
[2-(4-bromophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105195498
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687515
3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105184733

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine (CID 114687476) is N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cc1)c1cnnn1C.
What is the InChIKey of N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine?
The InChIKey is HFUAVYRVLSCTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-9-16-14(15-11-17-18-19(15)3)10-13-7-5-12(2)6-8-13/h5-8,11,14,16H,4,9-10H2,1-3H3.
What are the key properties of N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine?
N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114687476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).