[(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine

C15H14ClNO — CID 164664481

IUPAC[(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine
SMILESNC[C@@]1(c2ccccc2)Cc2cc(Cl)ccc2O1
InChIInChI=1S/C15H14ClNO/c16-13-6-7-14-11(8-13)9-15(10-17,18-14)12-4-2-1-3-5-12/h1-8H,9-10,17H2/t15-/m1/s1
InChIKeyUSNHZUDDFFMUDB-OAHLLOKOSA-N
MW259.74 g/mol
LogP3.13
Rot. Bonds2

About [(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine

[(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine (PubChem CID 164664481) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is [(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine
PubChem CID164664481
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name[(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine
SMILESNC[C@@]1(c2ccccc2)Cc2cc(Cl)ccc2O1
InChIInChI=1S/C15H14ClNO/c16-13-6-7-14-11(8-13)9-15(10-17,18-14)12-4-2-1-3-5-12/h1-8H,9-10,17H2/t15-/m1/s1
InChIKeyUSNHZUDDFFMUDB-OAHLLOKOSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Benzofuranmethylamine, 2,3-dihydro-5-chloro-, hydrochloride
CID 34439
Phenethylamine, beta-(sec-butyl)-5-chloro-2-ethoxy-
CID 207071
N-Desmethyl Asenapine
CID 44568616
5-Chloro-2,3-dihydro-1-benzofuran-3-amine--hydrogen chloride (1/1)
CID 53408125
2-(4-Chloro-2-methylphenoxy)-1-phenylethylamine
CID 10405144
(R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine
CID 11391352
(1S)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine
CID 11414327
(2S)-1-(4-chloro-2-methylphenoxy)-3-phenylpropan-2-amine
CID 44593058
[(1R,2S)-2-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanamine
CID 172467300
US12083101, Example 3b
CID 156855450
US12083101, Example 3a
CID 161393704
(5-Chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine hydrochloride
CID 75452401

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine (CID 164664481) is [(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine is NC[C@@]1(c2ccccc2)Cc2cc(Cl)ccc2O1.
What is the InChIKey of [(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine?
The InChIKey is USNHZUDDFFMUDB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-13-6-7-14-11(8-13)9-15(10-17,18-14)12-4-2-1-3-5-12/h1-8H,9-10,17H2/t15-/m1/s1.
What are the key properties of [(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine?
[(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine has a molecular weight of 259.74 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-chloro-2-phenyl-3H-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 164664481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).