N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine

C16H24N4 — CID 103398918

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2cn(C(C)(C)C)nn2)cc1
InChIInChI=1S/C16H24N4/c1-12-6-8-14(9-7-12)13(2)17-10-15-11-20(19-18-15)16(3,4)5/h6-9,11,13,17H,10H2,1-5H3
InChIKeyFOEONCKYJUIGDE-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.19
Rot. Bonds4

About N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine

N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 103398918) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID103398918
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2cn(C(C)(C)C)nn2)cc1
InChIInChI=1S/C16H24N4/c1-12-6-8-14(9-7-12)13(2)17-10-15-11-20(19-18-15)16(3,4)5/h6-9,11,13,17H,10H2,1-5H3
InChIKeyFOEONCKYJUIGDE-UHFFFAOYSA-N
XLogP3.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 103399284
N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 103398582
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 103398596
2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66268295
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946182
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 103399204
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(3,4-dimethoxy-2-methylphenyl)ethanamine
CID 126802415
(2S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 164630072
N-[(1-tert-butyltriazol-4-yl)methyl]-3-phenylbutan-1-amine
CID 103399083
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine
CID 103399276

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine (CID 103398918) is N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)NCc2cn(C(C)(C)C)nn2)cc1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is FOEONCKYJUIGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12-6-8-14(9-7-12)13(2)17-10-15-11-20(19-18-15)16(3,4)5/h6-9,11,13,17H,10H2,1-5H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine?
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 272.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 103398918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).