4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine

C17H21NOS — CID 115757939

IUPAC4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine
SMILESCC1(NCc2cc(-c3ccccc3)cs2)CCOCC1
InChIInChI=1S/C17H21NOS/c1-17(7-9-19-10-8-17)18-12-16-11-15(13-20-16)14-5-3-2-4-6-14/h2-6,11,13,18H,7-10,12H2,1H3
InChIKeyQQPFKKYVNAUJHB-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.07
Rot. Bonds4

About 4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine

4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine (PubChem CID 115757939) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine
PubChem CID115757939
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine
SMILESCC1(NCc2cc(-c3ccccc3)cs2)CCOCC1
InChIInChI=1S/C17H21NOS/c1-17(7-9-19-10-8-17)18-12-16-11-15(13-20-16)14-5-3-2-4-6-14/h2-6,11,13,18H,7-10,12H2,1H3
InChIKeyQQPFKKYVNAUJHB-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine
CID 115758046
1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
CID 62350153
5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide
CID 115758077
3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
CID 115768836
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866204
1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
CID 115639875
molecular hydrogen;trans-(1R,2R)-2,3,4,4-tetramethyl-N-[(4-phenylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 144611701
4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 115758089
(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine
CID 115629135
2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
CID 103700143
2-methyl-N-[(4-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191416
3,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]butan-2-amine
CID 104827818

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine?
The IUPAC name of 4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine (CID 115757939) is 4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for 4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine?
The canonical SMILES for 4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine is CC1(NCc2cc(-c3ccccc3)cs2)CCOCC1.
What is the InChIKey of 4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine?
The InChIKey is QQPFKKYVNAUJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-17(7-9-19-10-8-17)18-12-16-11-15(13-20-16)14-5-3-2-4-6-14/h2-6,11,13,18H,7-10,12H2,1H3.
What are the key properties of 4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine?
4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine has a molecular weight of 287.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 115757939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).