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

C12H14ClNO — CID 43512040

IUPAC5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1cc(Cl)cc2c1OCC2NC1CC1
InChIInChI=1S/C12H14ClNO/c1-7-4-8(13)5-10-11(6-15-12(7)10)14-9-2-3-9/h4-5,9,11,14H,2-3,6H2,1H3
InChIKeyBDUHYCKOZLQHJN-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.83
Rot. Bonds2

About 5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine

5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512040) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512040
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1cc(Cl)cc2c1OCC2NC1CC1
InChIInChI=1S/C12H14ClNO/c1-7-4-8(13)5-10-11(6-15-12(7)10)14-9-2-3-9/h4-5,9,11,14H,2-3,6H2,1H3
InChIKeyBDUHYCKOZLQHJN-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

7-chloro-N-cyclopropyl-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512030
5-tert-butyl-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512651
7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512699
7-chloro-N-ethyl-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512033
N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512547
N-(7-chloro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanesulfonamide
CID 22391796
5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 43512253
9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine
CID 54911039
6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 115728526
9-chloro-N-cyclopropyl-6-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512689
6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol
CID 82188618
N-cyclopropyl-6,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512134

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 43512040) is 5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine is Cc1cc(Cl)cc2c1OCC2NC1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is BDUHYCKOZLQHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-7-4-8(13)5-10-11(6-15-12(7)10)14-9-2-3-9/h4-5,9,11,14H,2-3,6H2,1H3.
What are the key properties of 5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine?
5-chloro-N-cyclopropyl-7-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 5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).