N-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine

C22H25NS — CID 167376273

IUPACN-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine
SMILESCC(C)(C)c1ccc(-c2ccccc2CNCc2ccccc2)s1
InChIInChI=1S/C22H25NS/c1-22(2,3)21-14-13-20(24-21)19-12-8-7-11-18(19)16-23-15-17-9-5-4-6-10-17/h4-14,23H,15-16H2,1-3H3
InChIKeyVKSVGEKXDOFAOA-UHFFFAOYSA-N
MW335.52 g/mol
LogP6.00
Rot. Bonds5

About N-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine

N-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine (PubChem CID 167376273) has the molecular formula C22H25NS and a molecular weight of 335.52 g/mol. Its IUPAC name is N-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine
PubChem CID167376273
Molecular FormulaC22H25NS
Molecular Weight335.52 g/mol
Exact Mass335.17
IUPAC NameN-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine
SMILESCC(C)(C)c1ccc(-c2ccccc2CNCc2ccccc2)s1
InChIInChI=1S/C22H25NS/c1-22(2,3)21-14-13-20(24-21)19-12-8-7-11-18(19)16-23-15-17-9-5-4-6-10-17/h4-14,23H,15-16H2,1-3H3
InChIKeyVKSVGEKXDOFAOA-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.52
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-tert-butylthiophen-2-yl)methyl]aniline
CID 58624276
2,6-bis[(benzylamino)methyl]-4-tert-butylphenol;dihydrochloride
CID 131884560
2-[(benzylamino)methyl]phenol chloride
CID 53350489
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
1-[2-(5-tert-butylthiophen-2-yl)phenyl]ethanone
CID 167376213
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
5-[2-(propylaminomethyl)phenyl]thiophene-2-carbonitrile
CID 62067065
1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]-2-phenylhydrazine
CID 169385414
2-[(benzylamino)methyl]-4,6-ditert-butylphenol
CID 135018997
N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene
CID 70442876
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
N-benzyl-N'-phenylmethanediamine
CID 151589453

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine (CID 167376273) is N-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine is CC(C)(C)c1ccc(-c2ccccc2CNCc2ccccc2)s1.
What is the InChIKey of N-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine?
The InChIKey is VKSVGEKXDOFAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NS/c1-22(2,3)21-14-13-20(24-21)19-12-8-7-11-18(19)16-23-15-17-9-5-4-6-10-17/h4-14,23H,15-16H2,1-3H3.
What are the key properties of N-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine?
N-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine has a molecular weight of 335.52 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-tert-butylthiophen-2-yl)phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 167376273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).