1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine

C18H19NOS — CID 105021793

IUPAC1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(C(N)c2cccc3ccsc23)c1
InChIInChI=1S/C18H19NOS/c1-12(2)20-15-7-3-6-14(11-15)17(19)16-8-4-5-13-9-10-21-18(13)16/h3-12,17H,19H2,1-2H3
InChIKeyOWGZDLWFJIDEFQ-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.74
Rot. Bonds4

About 1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine

1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 105021793) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine
PubChem CID105021793
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(C(N)c2cccc3ccsc23)c1
InChIInChI=1S/C18H19NOS/c1-12(2)20-15-7-3-6-14(11-15)17(19)16-8-4-5-13-9-10-21-18(13)16/h3-12,17H,19H2,1-2H3
InChIKeyOWGZDLWFJIDEFQ-UHFFFAOYSA-N
XLogP4.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine
CID 105022104
1-benzothiophen-7-yl-(3-propoxyphenyl)methanamine
CID 105021889
1-benzothiophen-7-yl(naphthalen-2-yl)methanamine
CID 81129802
1-benzothiophen-7-yl-(3-bromophenyl)methanamine
CID 81152966
(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 115850319
1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105021772
(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105018973
1-benzothiophen-7-yl-(4-bromophenyl)methanamine
CID 81153674
(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 114877931
1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine
CID 105021986
(4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105019103
(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105019095

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of 1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine (CID 105021793) is 1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for 1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine is CC(C)Oc1cccc(C(N)c2cccc3ccsc23)c1.
What is the InChIKey of 1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is OWGZDLWFJIDEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-12(2)20-15-7-3-6-14(11-15)17(19)16-8-4-5-13-9-10-21-18(13)16/h3-12,17H,19H2,1-2H3.
What are the key properties of 1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine?
1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 297.42 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105021793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).