1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine

C17H21NOS — CID 61019456

IUPAC1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine
SMILESc1ccc(-c2ccc(CNCC3CCCOC3)s2)cc1
InChIInChI=1S/C17H21NOS/c1-2-6-15(7-3-1)17-9-8-16(20-17)12-18-11-14-5-4-10-19-13-14/h1-3,6-9,14,18H,4-5,10-13H2
InChIKeyODABLCOAHUZULV-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.93
Rot. Bonds5

About 1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine

1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine (PubChem CID 61019456) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine
PubChem CID61019456
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine
SMILESc1ccc(-c2ccc(CNCC3CCCOC3)s2)cc1
InChIInChI=1S/C17H21NOS/c1-2-6-15(7-3-1)17-9-8-16(20-17)12-18-11-14-5-4-10-19-13-14/h1-3,6-9,14,18H,4-5,10-13H2
InChIKeyODABLCOAHUZULV-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine
CID 43222784
5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
CID 103242542
2-bromo-6-[(oxan-3-ylmethylamino)methyl]phenol
CID 61392158
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 79978645
[5-[(oxan-3-ylmethylamino)methyl]furan-2-yl]methanol
CID 64590655
2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine
CID 63740219
N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine
CID 79419740
1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61019320
3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine
CID 43226034
N-(furan-3-ylmethyl)-1-(oxan-3-yl)methanamine
CID 63001698
2-(oxan-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]acetamide
CID 110631429

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine (CID 61019456) is 1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine is c1ccc(-c2ccc(CNCC3CCCOC3)s2)cc1.
What is the InChIKey of 1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine?
The InChIKey is ODABLCOAHUZULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-6-15(7-3-1)17-9-8-16(20-17)12-18-11-14-5-4-10-19-13-14/h1-3,6-9,14,18H,4-5,10-13H2.
What are the key properties of 1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine?
1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine has a molecular weight of 287.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 61019456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).