[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine

C9H10ClNO — CID 40566108

IUPAC[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C9H10ClNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-3,8H,4-5,11H2/t8-/m0/s1
InChIKeyAICZCYWRASYRJI-QMMMGPOBSA-N
MW183.64 g/mol
LogP1.60
Rot. Bonds1

About [(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 40566108) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is [(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID40566108
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C9H10ClNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-3,8H,4-5,11H2/t8-/m0/s1
InChIKeyAICZCYWRASYRJI-QMMMGPOBSA-N
XLogP1.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
[4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]morpholin-2-yl]methanamine
CID 114398605
[(2R)-6-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 125485605
2-(azidomethyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 66362547
5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran
CID 56961244
1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]propan-2-amine
CID 66362147
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 66360415
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine
CID 66391607
(2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran
CID 142930046
(6-chloro-4H-1,3-benzodioxin-2-yl)methanamine
CID 115062690
[(3S)-6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine;sulfane
CID 159919789
(2R)-2-amino-3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]propanoic acid
CID 66362521

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 40566108) is [(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine is NC[C@@H]1Cc2cc(Cl)ccc2O1.
What is the InChIKey of [(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is AICZCYWRASYRJI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-3,8H,4-5,11H2/t8-/m0/s1.
What are the key properties of [(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 183.64 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 40566108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).