N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine

C18H17NOS — CID 66350789

IUPACN-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine
SMILESc1ccc(COc2ccc(CNc3ccsc3)cc2)cc1
InChIInChI=1S/C18H17NOS/c1-2-4-16(5-3-1)13-20-18-8-6-15(7-9-18)12-19-17-10-11-21-14-17/h1-11,14,19H,12-13H2
InChIKeyVTEHFRUTSLDZKJ-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.94
Rot. Bonds6

About N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine

N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine (PubChem CID 66350789) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine
PubChem CID66350789
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC NameN-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine
SMILESc1ccc(COc2ccc(CNc3ccsc3)cc2)cc1
InChIInChI=1S/C18H17NOS/c1-2-4-16(5-3-1)13-20-18-8-6-15(7-9-18)12-19-17-10-11-21-14-17/h1-11,14,19H,12-13H2
InChIKeyVTEHFRUTSLDZKJ-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline
CID 118960656
N-benzyl-3-phenylmethoxyaniline
CID 54801332
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117217
N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline
CID 90023157
N-[(4-methoxyphenyl)methyl]-6-phenylmethoxynaphthalen-2-amine
CID 25139545
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801275
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine?
The IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine (CID 66350789) is N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine is c1ccc(COc2ccc(CNc3ccsc3)cc2)cc1.
What is the InChIKey of N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine?
The InChIKey is VTEHFRUTSLDZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-2-4-16(5-3-1)13-20-18-8-6-15(7-9-18)12-19-17-10-11-21-14-17/h1-11,14,19H,12-13H2.
What are the key properties of N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine?
N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine has a molecular weight of 295.41 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine is sourced from PubChem (CID 66350789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).