[(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C16H16ClNO — CID 129383339

IUPAC[(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cccc(-c2cc(Cl)cc3c2O[C@@H](CN)C3)c1
InChIInChI=1S/C16H16ClNO/c1-10-3-2-4-11(5-10)15-8-13(17)6-12-7-14(9-18)19-16(12)15/h2-6,8,14H,7,9,18H2,1H3/t14-/m1/s1
InChIKeyDRPCFMWVLFBLML-CQSZACIVSA-N
MW273.76 g/mol
LogP3.58
Rot. Bonds2

About [(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 129383339) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is [(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID129383339
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name[(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cccc(-c2cc(Cl)cc3c2O[C@@H](CN)C3)c1
InChIInChI=1S/C16H16ClNO/c1-10-3-2-4-11(5-10)15-8-13(17)6-12-7-14(9-18)19-16(12)15/h2-6,8,14H,7,9,18H2,1H3/t14-/m1/s1
InChIKeyDRPCFMWVLFBLML-CQSZACIVSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-5-chloro-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129384142
[(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383335
[(2R)-5-chloro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383347
[5-chloro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960947
[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129364398
2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 125485635
8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one
CID 95198498
[7-(2,6-dimethylphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11448636
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
[(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129395361
[(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95207647

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 129383339) is [(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1cccc(-c2cc(Cl)cc3c2O[C@@H](CN)C3)c1.
What is the InChIKey of [(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is DRPCFMWVLFBLML-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-10-3-2-4-11(5-10)15-8-13(17)6-12-7-14(9-18)19-16(12)15/h2-6,8,14H,7,9,18H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 273.76 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 129383339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).