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

C15H22N4 — CID 107048839

IUPACN-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cccc(C)c1)Cc1cn(C)nn1
InChIInChI=1S/C15H22N4/c1-4-16-14(10-15-11-19(3)18-17-15)9-13-7-5-6-12(2)8-13/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyLERPYPRPKVFECK-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.89
Rot. Bonds6

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

N-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine (PubChem CID 107048839) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
PubChem CID107048839
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cccc(C)c1)Cc1cn(C)nn1
InChIInChI=1S/C15H22N4/c1-4-16-14(10-15-11-19(3)18-17-15)9-13-7-5-6-12(2)8-13/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyLERPYPRPKVFECK-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048702
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107049316
1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107048898
N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine
CID 83175711
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 102803003
N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine
CID 105091227
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107051522
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 62604502
4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107064323
N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053022
N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 115003052

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine (CID 107048839) is N-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine is CCNC(Cc1cccc(C)c1)Cc1cn(C)nn1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine?
The InChIKey is LERPYPRPKVFECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-16-14(10-15-11-19(3)18-17-15)9-13-7-5-6-12(2)8-13/h5-8,11,14,16H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine?
N-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine is sourced from PubChem (CID 107048839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).