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

C15H21ClN4 — CID 107064044

IUPACN-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)c1ccc(C)cc1Cl
InChIInChI=1S/C15H21ClN4/c1-4-7-17-15(9-12-10-20(3)19-18-12)13-6-5-11(2)8-14(13)16/h5-6,8,10,15,17H,4,7,9H2,1-3H3
InChIKeyUUUZHGXQCCKOSW-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.06
Rot. Bonds6

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

N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine (PubChem CID 107064044) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
PubChem CID107064044
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)c1ccc(C)cc1Cl
InChIInChI=1S/C15H21ClN4/c1-4-7-17-15(9-12-10-20(3)19-18-12)13-6-5-11(2)8-14(13)16/h5-6,8,10,15,17H,4,7,9H2,1-3H3
InChIKeyUUUZHGXQCCKOSW-UHFFFAOYSA-N
XLogP3.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chlorofuran-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064238
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107051522
[1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066602
1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107048898
N-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107050731
1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106857235
N-[1-(3-methyl-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107048847
N-[1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064185
1-(2-chloro-4-methylphenyl)-N-propyloctan-1-amine
CID 106857214
1-(3,4-dichlorophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050517
1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107063841
4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107064323

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine (CID 107064044) is N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cn(C)nn1)c1ccc(C)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
The InChIKey is UUUZHGXQCCKOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-4-7-17-15(9-12-10-20(3)19-18-12)13-6-5-11(2)8-14(13)16/h5-6,8,10,15,17H,4,7,9H2,1-3H3.
What are the key properties of N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine has a molecular weight of 292.81 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107064044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).