N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine

C14H22N2O — CID 107445174

IUPACN'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNc1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2O/c1-14(2,3)16-8-7-15-12-4-5-13-11(10-12)6-9-17-13/h4-5,10,15-16H,6-9H2,1-3H3
InChIKeyYDALSGFKHNIJEG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.42
Rot. Bonds4

About N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine

N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine (PubChem CID 107445174) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
PubChem CID107445174
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNc1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2O/c1-14(2,3)16-8-7-15-12-4-5-13-11(10-12)6-9-17-13/h4-5,10,15-16H,6-9H2,1-3H3
InChIKeyYDALSGFKHNIJEG-UHFFFAOYSA-N
XLogP2.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine
CID 115201733
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
CID 115197732
N-tert-butyl-5-(2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylpentan-1-amine
CID 65304245
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
4-(2,3-dihydro-1-benzofuran-5-ylamino)butanoic acid
CID 115218481
N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732659
2-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]-2-ethylbutan-1-ol
CID 81412771
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine
CID 65308355
N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine
CID 115201022
N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 103398837
N-[(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 105401308

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine (CID 107445174) is N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine is CC(C)(C)NCCNc1ccc2c(c1)CCO2.
What is the InChIKey of N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine?
The InChIKey is YDALSGFKHNIJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)16-8-7-15-12-4-5-13-11(10-12)6-9-17-13/h4-5,10,15-16H,6-9H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine?
N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 107445174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).