7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine

C11H14ClNO — CID 43512702

IUPAC7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2c(Cl)ccc(C)c21
InChIInChI=1S/C11H14ClNO/c1-3-13-9-6-14-11-8(12)5-4-7(2)10(9)11/h4-5,9,13H,3,6H2,1-2H3
InChIKeyTZLAUKJPNQNPLT-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.69
Rot. Bonds2

About 7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine

7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512702) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512702
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2c(Cl)ccc(C)c21
InChIInChI=1S/C11H14ClNO/c1-3-13-9-6-14-11-8(12)5-4-7(2)10(9)11/h4-5,9,13H,3,6H2,1-2H3
InChIKeyTZLAUKJPNQNPLT-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512699
8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537828
7-methyl-4-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 54909810
9-chloro-N,6-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512693
5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107659799
9-chloro-N-cyclopropyl-6-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512689
N-ethyl-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417478
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859
N-ethyl-6-fluoro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 102990299
7-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511879
5-bromo-8-chloro-N-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64698713
6-bromo-5,8-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 107659779

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 43512702) is 7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine is CCNC1COc2c(Cl)ccc(C)c21.
What is the InChIKey of 7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is TZLAUKJPNQNPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-13-9-6-14-11-8(12)5-4-7(2)10(9)11/h4-5,9,13H,3,6H2,1-2H3.
What are the key properties of 7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 211.69 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).