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

C12H14ClNO — CID 43512699

IUPAC7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1ccc(Cl)c2c1C(NC1CC1)CO2
InChIInChI=1S/C12H14ClNO/c1-7-2-5-9(13)12-11(7)10(6-15-12)14-8-3-4-8/h2,5,8,10,14H,3-4,6H2,1H3
InChIKeyVLAVLGOBBDDLTF-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.83
Rot. Bonds2

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

7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512699) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512699
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1ccc(Cl)c2c1C(NC1CC1)CO2
InChIInChI=1S/C12H14ClNO/c1-7-2-5-9(13)12-11(7)10(6-15-12)14-8-3-4-8/h2,5,8,10,14H,3-4,6H2,1H3
InChIKeyVLAVLGOBBDDLTF-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-chloro-N-cyclopropyl-6-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512689
7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512702
5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512040
N-cyclopropyl-6,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512134
9-chloro-N,6-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512693
8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537828
5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512651
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859
7-chloro-N-cyclopropyl-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512030
5-chloro-8-methyl-3,4-dihydro-2H-chromene-4-thiol
CID 130774940
(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961328
5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 43512253

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 43512699) is 7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine is Cc1ccc(Cl)c2c1C(NC1CC1)CO2.
What is the InChIKey of 7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is VLAVLGOBBDDLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-7-2-5-9(13)12-11(7)10(6-15-12)14-8-3-4-8/h2,5,8,10,14H,3-4,6H2,1H3.
What are the key properties of 7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 223.70 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).