2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine

C11H14ClNO — CID 83885675

IUPAC2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine
SMILESCC1Cc2cc(Cl)cc(CCN)c2O1
InChIInChI=1S/C11H14ClNO/c1-7-4-9-6-10(12)5-8(2-3-13)11(9)14-7/h5-7H,2-4,13H2,1H3
InChIKeyPOQFLPUBWSMKSW-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.16
Rot. Bonds2

About 2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine

2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine (PubChem CID 83885675) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine
PubChem CID83885675
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine
SMILESCC1Cc2cc(Cl)cc(CCN)c2O1
InChIInChI=1S/C11H14ClNO/c1-7-4-9-6-10(12)5-8(2-3-13)11(9)14-7/h5-7H,2-4,13H2,1H3
InChIKeyPOQFLPUBWSMKSW-UHFFFAOYSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)butan-1-amine
CID 117352257
2-(7-chloro-6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83899169
1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine
CID 117420850
3-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylpropanoic acid
CID 117425281
2-(2,7-dimethyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 55254026
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 3951670
2-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83883232
4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine
CID 117377961
(2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 124851061
2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 104980221
7-(2,5-dichlorophenyl)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran
CID 69107948
7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108804

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine (CID 83885675) is 2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine is CC1Cc2cc(Cl)cc(CCN)c2O1.
What is the InChIKey of 2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine?
The InChIKey is POQFLPUBWSMKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-4-9-6-10(12)5-8(2-3-13)11(9)14-7/h5-7H,2-4,13H2,1H3.
What are the key properties of 2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine?
2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine has a molecular weight of 211.69 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine is sourced from PubChem (CID 83885675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).