4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline

C18H17NOS — CID 102336988

IUPAC4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline
SMILESCOc1ccc(N)c(C(c2ccccc2)c2cccs2)c1
InChIInChI=1S/C18H17NOS/c1-20-14-9-10-16(19)15(12-14)18(17-8-5-11-21-17)13-6-3-2-4-7-13/h2-12,18H,19H2,1H3
InChIKeyXUEHARYPOMIZEM-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.52
Rot. Bonds4

About 4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline

4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline (PubChem CID 102336988) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline
PubChem CID102336988
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline
SMILESCOc1ccc(N)c(C(c2ccccc2)c2cccs2)c1
InChIInChI=1S/C18H17NOS/c1-20-14-9-10-16(19)15(12-14)18(17-8-5-11-21-17)13-6-3-2-4-7-13/h2-12,18H,19H2,1H3
InChIKeyXUEHARYPOMIZEM-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzhydryl-4-ethoxyaniline
CID 174855019
6-[phenyl(thiophen-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 102336996
(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
CID 171199401
(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
CID 93054120
2-(difluoromethyl)-4-methoxyaniline
CID 45091134
4-methoxy-2-(1-phenylethylsulfanyl)aniline
CID 79518054
5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol
CID 134843751
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1,3-dibenzhydryl-5-methoxy-2-methylbenzene
CID 170203409
2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride
CID 171220205
(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171200089
1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43481960

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline?
The IUPAC name of 4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline (CID 102336988) is 4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline is COc1ccc(N)c(C(c2ccccc2)c2cccs2)c1.
What is the InChIKey of 4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline?
The InChIKey is XUEHARYPOMIZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-20-14-9-10-16(19)15(12-14)18(17-8-5-11-21-17)13-6-3-2-4-7-13/h2-12,18H,19H2,1H3.
What are the key properties of 4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline?
4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline has a molecular weight of 295.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline is sourced from PubChem (CID 102336988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).