1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine

C18H19NOS — CID 106682258

IUPAC1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCOc1cc(C)cc(C)c1C(N)c1cc2ccccc2s1
InChIInChI=1S/C18H19NOS/c1-11-8-12(2)17(14(9-11)20-3)18(19)16-10-13-6-4-5-7-15(13)21-16/h4-10,18H,19H2,1-3H3
InChIKeySZMTWAGUNMKLRB-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.57
Rot. Bonds3

About 1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine

1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine (PubChem CID 106682258) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine
PubChem CID106682258
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCOc1cc(C)cc(C)c1C(N)c1cc2ccccc2s1
InChIInChI=1S/C18H19NOS/c1-11-8-12(2)17(14(9-11)20-3)18(19)16-10-13-6-4-5-7-15(13)21-16/h4-10,18H,19H2,1-3H3
InChIKeySZMTWAGUNMKLRB-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
(2-methoxy-4,6-dimethylphenyl)-(4-methoxyphenyl)methanamine
CID 106680347
(2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680488
(2-methoxy-4,6-dimethylphenyl)-(6-methyl-2-pyridinyl)methanamine
CID 106680561
1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047086
(2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine
CID 106680388
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791356
1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105048223
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
(5-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680991
2-(dimethoxymethyl)-1-benzothiophene
CID 119086272
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4,6-trimethylaniline
CID 114909796

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine?
The IUPAC name of 1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine (CID 106682258) is 1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine?
The canonical SMILES for 1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine is COc1cc(C)cc(C)c1C(N)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine?
The InChIKey is SZMTWAGUNMKLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-11-8-12(2)17(14(9-11)20-3)18(19)16-10-13-6-4-5-7-15(13)21-16/h4-10,18H,19H2,1-3H3.
What are the key properties of 1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine?
1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine has a molecular weight of 297.42 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106682258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).