N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine

C15H20N4O — CID 103398837

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCC(C)(C)n1cc(CNc2ccc3c(c2)CCO3)nn1
InChIInChI=1S/C15H20N4O/c1-15(2,3)19-10-13(17-18-19)9-16-12-4-5-14-11(8-12)6-7-20-14/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyZPPLGTVVWGXMAY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.58
Rot. Bonds3

About N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine

N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 103398837) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID103398837
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCC(C)(C)n1cc(CNc2ccc3c(c2)CCO3)nn1
InChIInChI=1S/C15H20N4O/c1-15(2,3)19-10-13(17-18-19)9-16-12-4-5-14-11(8-12)6-7-20-14/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyZPPLGTVVWGXMAY-UHFFFAOYSA-N
XLogP2.58
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-4-fluoroaniline
CID 103398542
N-[(1-tert-butyltriazol-4-yl)methyl]-4-iodoaniline
CID 103398664
N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 107445174
N-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62345020
N-[(1-tert-butyltriazol-4-yl)methyl]-4-methoxy-3-methylaniline
CID 103398997
N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732659
N-[(1-tert-butyltriazol-4-yl)methyl]-2,1-benzothiazol-5-amine
CID 167868641
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine
CID 115201733
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
CID 115197732
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426557
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine (CID 103398837) is N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine is CC(C)(C)n1cc(CNc2ccc3c(c2)CCO3)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is ZPPLGTVVWGXMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,3)19-10-13(17-18-19)9-16-12-4-5-14-11(8-12)6-7-20-14/h4-5,8,10,16H,6-7,9H2,1-3H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 272.35 g/mol, XLogP of 2.58, 3 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]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 103398837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).