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

C17H19NOS — CID 155893915

IUPACN-[(4-phenylmethoxyphenyl)methyl]thietan-3-amine
SMILESc1ccc(COc2ccc(CNC3CSC3)cc2)cc1
InChIInChI=1S/C17H19NOS/c1-2-4-15(5-3-1)11-19-17-8-6-14(7-9-17)10-18-16-12-20-13-16/h1-9,16,18H,10-13H2
InChIKeyIGHPTFOERSATLS-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.47
Rot. Bonds6

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

N-[(4-phenylmethoxyphenyl)methyl]thietan-3-amine (PubChem CID 155893915) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(4-phenylmethoxyphenyl)methyl]thietan-3-amine.

Molecular Properties

Compound NameN-[(4-phenylmethoxyphenyl)methyl]thietan-3-amine
PubChem CID155893915
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-[(4-phenylmethoxyphenyl)methyl]thietan-3-amine
SMILESc1ccc(COc2ccc(CNC3CSC3)cc2)cc1
InChIInChI=1S/C17H19NOS/c1-2-4-15(5-3-1)11-19-17-8-6-14(7-9-17)10-18-16-12-20-13-16/h1-9,16,18H,10-13H2
InChIKeyIGHPTFOERSATLS-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
N-[(4-phenylmethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113221605
2-[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]-1,3-dithiane
CID 19989566
N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine
CID 82710597

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]thietan-3-amine?
The IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]thietan-3-amine (CID 155893915) is N-[(4-phenylmethoxyphenyl)methyl]thietan-3-amine.
What is the SMILES notation for N-[(4-phenylmethoxyphenyl)methyl]thietan-3-amine?
The canonical SMILES for N-[(4-phenylmethoxyphenyl)methyl]thietan-3-amine is c1ccc(COc2ccc(CNC3CSC3)cc2)cc1.
What is the InChIKey of N-[(4-phenylmethoxyphenyl)methyl]thietan-3-amine?
The InChIKey is IGHPTFOERSATLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-4-15(5-3-1)11-19-17-8-6-14(7-9-17)10-18-16-12-20-13-16/h1-9,16,18H,10-13H2.
What are the key properties of N-[(4-phenylmethoxyphenyl)methyl]thietan-3-amine?
N-[(4-phenylmethoxyphenyl)methyl]thietan-3-amine has a molecular weight of 285.41 g/mol, XLogP of 3.47, 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]thietan-3-amine is sourced from PubChem (CID 155893915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).