1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

C15H22N4 — CID 105043741

IUPAC1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1cnnn1C
InChIInChI=1S/C15H22N4/c1-15(2,3)12-8-6-11(7-9-12)14(16-4)13-10-17-18-19(13)5/h6-10,14,16H,1-5H3
InChIKeyZDZIAPXABJBLNI-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.42
Rot. Bonds3

About 1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (PubChem CID 105043741) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
PubChem CID105043741
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1cnnn1C
InChIInChI=1S/C15H22N4/c1-15(2,3)12-8-6-11(7-9-12)14(16-4)13-10-17-18-19(13)5/h6-10,14,16H,1-5H3
InChIKeyZDZIAPXABJBLNI-UHFFFAOYSA-N
XLogP2.42
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline
CID 105184667
1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687790
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687189
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688993
1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114686909
N-methyl-1-(3-propyltriazol-4-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105038531
N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine
CID 114687623
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688577
[(3-methyltriazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196426
1-(2,6-dimethoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043571
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043613
1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043450

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (CID 105043741) is 1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is CNC(c1ccc(C(C)(C)C)cc1)c1cnnn1C.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The InChIKey is ZDZIAPXABJBLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-15(2,3)12-8-6-11(7-9-12)14(16-4)13-10-17-18-19(13)5/h6-10,14,16H,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine has a molecular weight of 258.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 105043741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).