1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine

C17H16ClNO — CID 114732238

IUPAC1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
SMILESCc1ccc2oc(-c3ccc(C(C)N)c(Cl)c3)cc2c1
InChIInChI=1S/C17H16ClNO/c1-10-3-6-16-13(7-10)9-17(20-16)12-4-5-14(11(2)19)15(18)8-12/h3-9,11H,19H2,1-2H3
InChIKeyODCBSADENCQMLT-UHFFFAOYSA-N
MW285.77 g/mol
LogP5.08
Rot. Bonds2

About 1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine

1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine (PubChem CID 114732238) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
PubChem CID114732238
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
SMILESCc1ccc2oc(-c3ccc(C(C)N)c(Cl)c3)cc2c1
InChIInChI=1S/C17H16ClNO/c1-10-3-6-16-13(7-10)9-17(20-16)12-4-5-14(11(2)19)15(18)8-12/h3-9,11H,19H2,1-2H3
InChIKeyODCBSADENCQMLT-UHFFFAOYSA-N
XLogP5.08
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.77
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline
CID 114731830
1-[2-chloro-4-(2,3,4,5,6-pentamethylphenyl)phenyl]ethanamine
CID 82777645
1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine
CID 114732213
N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732246
3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine
CID 114734095
2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline
CID 114731877
2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid
CID 114731641
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
CID 83240225
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine (CID 114732238) is 1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine is Cc1ccc2oc(-c3ccc(C(C)N)c(Cl)c3)cc2c1.
What is the InChIKey of 1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
The InChIKey is ODCBSADENCQMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-10-3-6-16-13(7-10)9-17(20-16)12-4-5-14(11(2)19)15(18)8-12/h3-9,11H,19H2,1-2H3.
What are the key properties of 1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine has a molecular weight of 285.77 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine is sourced from PubChem (CID 114732238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).