N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine

C17H17NOS — CID 43687874

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine
SMILESCOc1ccc(C)cc1CNc1ccc2sccc2c1
InChIInChI=1S/C17H17NOS/c1-12-3-5-16(19-2)14(9-12)11-18-15-4-6-17-13(10-15)7-8-20-17/h3-10,18H,11H2,1-2H3
InChIKeyOTKBNRZLYHKZQI-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.83
Rot. Bonds4

About N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine

N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine (PubChem CID 43687874) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine
PubChem CID43687874
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine
SMILESCOc1ccc(C)cc1CNc1ccc2sccc2c1
InChIInChI=1S/C17H17NOS/c1-12-3-5-16(19-2)14(9-12)11-18-15-4-6-17-13(10-15)7-8-20-17/h3-10,18H,11H2,1-2H3
InChIKeyOTKBNRZLYHKZQI-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine
CID 43687708
N-[(2,4,5-trimethylphenyl)methyl]-1-benzothiophen-5-amine
CID 43781960
N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine
CID 105371129
4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
2-[(1-benzothiophen-5-ylamino)methyl]-5-methoxyphenol
CID 61261763
2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol
CID 107677911
2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid
CID 43736330
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-benzothiophen-5-amine
CID 43687800
N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746512
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 103934347

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine (CID 43687874) is N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine is COc1ccc(C)cc1CNc1ccc2sccc2c1.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine?
The InChIKey is OTKBNRZLYHKZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-12-3-5-16(19-2)14(9-12)11-18-15-4-6-17-13(10-15)7-8-20-17/h3-10,18H,11H2,1-2H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine?
N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine has a molecular weight of 283.40 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 43687874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).