N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine

C16H22N4O — CID 103398947

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESCC(C)(C)n1cc(CNCC2Cc3ccccc3O2)nn1
InChIInChI=1S/C16H22N4O/c1-16(2,3)20-11-13(18-19-20)9-17-10-14-8-12-6-4-5-7-15(12)21-14/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyJOBLYXJKWALSQC-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.13
Rot. Bonds4

About N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine

N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine (PubChem CID 103398947) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
PubChem CID103398947
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESCC(C)(C)n1cc(CNCC2Cc3ccccc3O2)nn1
InChIInChI=1S/C16H22N4O/c1-16(2,3)20-11-13(18-19-20)9-17-10-14-8-12-6-4-5-7-15(12)21-14/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyJOBLYXJKWALSQC-UHFFFAOYSA-N
XLogP2.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54895787
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 103398556
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144599
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261
1-(5-bromothiophen-2-yl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine
CID 103398951
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63050382
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]methanamine
CID 63646715
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 61004039
N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103398815
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine (CID 103398947) is N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine is CC(C)(C)n1cc(CNCC2Cc3ccccc3O2)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
The InChIKey is JOBLYXJKWALSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)20-11-13(18-19-20)9-17-10-14-8-12-6-4-5-7-15(12)21-14/h4-7,11,14,17H,8-10H2,1-3H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine has a molecular weight of 286.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 103398947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).