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

C17H21NOS — CID 62350153

IUPAC1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
SMILESc1ccc(-c2csc(CNCC3CCOCC3)c2)cc1
InChIInChI=1S/C17H21NOS/c1-2-4-15(5-3-1)16-10-17(20-13-16)12-18-11-14-6-8-19-9-7-14/h1-5,10,13-14,18H,6-9,11-12H2
InChIKeyOOOWANFNUDNKEB-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.93
Rot. Bonds5

About 1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine

1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine (PubChem CID 62350153) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
PubChem CID62350153
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
SMILESc1ccc(-c2csc(CNCC3CCOCC3)c2)cc1
InChIInChI=1S/C17H21NOS/c1-2-4-15(5-3-1)16-10-17(20-13-16)12-18-11-14-6-8-19-9-7-14/h1-5,10,13-14,18H,6-9,11-12H2
InChIKeyOOOWANFNUDNKEB-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-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 62351928
1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol
CID 63298820
3-[(4-phenylthiophen-2-yl)methylamino]propan-1-ol
CID 54904244
ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate
CID 54903997
1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589022
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866204
(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
N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine
CID 62351212
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 61017624
3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 103081741
5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063032

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine (CID 62350153) is 1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine is c1ccc(-c2csc(CNCC3CCOCC3)c2)cc1.
What is the InChIKey of 1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine?
The InChIKey is OOOWANFNUDNKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-4-15(5-3-1)16-10-17(20-13-16)12-18-11-14-6-8-19-9-7-14/h1-5,10,13-14,18H,6-9,11-12H2.
What are the key properties of 1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine?
1-(oxan-4-yl)-N-[(4-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-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 62350153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).