1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol

C19H20ClNOS — CID 139692021

IUPAC1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol
SMILESCc1ccc2c(CCNCC(O)c3cccc(Cl)c3)csc2c1
InChIInChI=1S/C19H20ClNOS/c1-13-5-6-17-15(12-23-19(17)9-13)7-8-21-11-18(22)14-3-2-4-16(20)10-14/h2-6,9-10,12,18,21-22H,7-8,11H2,1H3
InChIKeyOVFQWUKBBSAZTN-UHFFFAOYSA-N
MW345.90 g/mol
LogP4.73
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol

1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol (PubChem CID 139692021) has the molecular formula C19H20ClNOS and a molecular weight of 345.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol
PubChem CID139692021
Molecular FormulaC19H20ClNOS
Molecular Weight345.90 g/mol
Exact Mass345.10
IUPAC Name1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol
SMILESCc1ccc2c(CCNCC(O)c3cccc(Cl)c3)csc2c1
InChIInChI=1S/C19H20ClNOS/c1-13-5-6-17-15(12-23-19(17)9-13)7-8-21-11-18(22)14-3-2-4-16(20)10-14/h2-6,9-10,12,18,21-22H,7-8,11H2,1H3
InChIKeyOVFQWUKBBSAZTN-UHFFFAOYSA-N
XLogP4.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163
2-[1-(6-bromo-1-benzothiophen-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol
CID 139692015
1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol
CID 11163954
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenol;hydrochloride
CID 67873161
2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 18521685
2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 14368692
1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol
CID 11269732
4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol
CID 14368658
methyl 2-[3-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]indol-1-yl]acetate;hydrochloride
CID 139699361
1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol
CID 23322179
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine
CID 117185619

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol (CID 139692021) is 1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol is Cc1ccc2c(CCNCC(O)c3cccc(Cl)c3)csc2c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol?
The InChIKey is OVFQWUKBBSAZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNOS/c1-13-5-6-17-15(12-23-19(17)9-13)7-8-21-11-18(22)14-3-2-4-16(20)10-14/h2-6,9-10,12,18,21-22H,7-8,11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol?
1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol has a molecular weight of 345.90 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol is sourced from PubChem (CID 139692021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).