N-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine

C14H17Cl2NO — CID 81048770

IUPACN-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1coc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C14H17Cl2NO/c1-14(2,3)17-7-6-9-8-18-13-10(9)4-5-11(15)12(13)16/h4-5,8,17H,6-7H2,1-3H3
InChIKeySZWRYNPQCDWIBG-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.67
Rot. Bonds3

About N-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine

N-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 81048770) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is N-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
PubChem CID81048770
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC NameN-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1coc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C14H17Cl2NO/c1-14(2,3)17-7-6-9-8-18-13-10(9)4-5-11(15)12(13)16/h4-5,8,17H,6-7H2,1-3H3
InChIKeySZWRYNPQCDWIBG-UHFFFAOYSA-N
XLogP4.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-2-(7-chloro-1-benzofuran-3-yl)-1-[(2-phenylacetyl)amino]ethyl]boronic acid
CID 140861729
5-(7-Chloro-4-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine
CID 176196934
5-(4,7-Dichloro-5-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine
CID 176197019
5-(7-Chloro-4,6-difluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine
CID 176197128
5-(7-Chloro-5-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine
CID 176197201
5-(7-Chloro-6-fluoro-1-benzofuran-3-yl)-1,2,3,6-tetrahydropyridine
CID 176569330
(Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine
CID 176569517
N-[(7-chloro-5-fluoro-1-benzofuran-3-yl)methyl]propan-1-amine
CID 65667522
N-[(7-chloro-5-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine
CID 65667752
N-[(7-chloro-5-fluoro-1-benzofuran-3-yl)methyl]propan-2-amine
CID 65667753
N-[(7-chloro-5-fluoro-1-benzofuran-3-yl)methyl]ethanamine
CID 65667981
N-[2-(7-chloro-5-fluoro-1-benzofuran-3-yl)ethyl]-2-methylpropan-1-amine
CID 81048272

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine (CID 81048770) is N-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1coc2c(Cl)c(Cl)ccc12.
What is the InChIKey of N-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is SZWRYNPQCDWIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-14(2,3)17-7-6-9-8-18-13-10(9)4-5-11(15)12(13)16/h4-5,8,17H,6-7H2,1-3H3.
What are the key properties of N-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 286.20 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81048770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).