1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine

C18H18ClNS — CID 63739349

IUPAC1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(Cl)c1)Cc1csc2ccccc12
InChIInChI=1S/C18H18ClNS/c1-20-16(10-13-5-4-6-15(19)9-13)11-14-12-21-18-8-3-2-7-17(14)18/h2-9,12,16,20H,10-11H2,1H3
InChIKeyPGCMWRDLDSCUQV-UHFFFAOYSA-N
MW315.87 g/mol
LogP4.93
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine

1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine (PubChem CID 63739349) has the molecular formula C18H18ClNS and a molecular weight of 315.87 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
PubChem CID63739349
Molecular FormulaC18H18ClNS
Molecular Weight315.87 g/mol
Exact Mass315.08
IUPAC Name1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(Cl)c1)Cc1csc2ccccc12
InChIInChI=1S/C18H18ClNS/c1-20-16(10-13-5-4-6-15(19)9-13)11-14-12-21-18-8-3-2-7-17(14)18/h2-9,12,16,20H,10-11H2,1H3
InChIKeyPGCMWRDLDSCUQV-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63507542
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CID 63738839
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
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CID 60820361
1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
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CID 63889811
2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 4119329
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 62600122
1-(3-chlorophenyl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 54919483
(1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine
CID 81365962
1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine
CID 63737079
1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine
CID 62234060

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine (CID 63739349) is 1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine is CNC(Cc1cccc(Cl)c1)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine?
The InChIKey is PGCMWRDLDSCUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNS/c1-20-16(10-13-5-4-6-15(19)9-13)11-14-12-21-18-8-3-2-7-17(14)18/h2-9,12,16,20H,10-11H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine?
1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine has a molecular weight of 315.87 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 63739349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).