1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine

C16H21NOS — CID 63736929

IUPAC1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(Cc2csc3ccccc23)CCOCC1
InChIInChI=1S/C16H21NOS/c1-17-12-16(6-8-18-9-7-16)10-13-11-19-15-5-3-2-4-14(13)15/h2-5,11,17H,6-10,12H2,1H3
InChIKeyMYAPHMHDJZXCBA-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.46
Rot. Bonds4

About 1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine

1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine (PubChem CID 63736929) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine
PubChem CID63736929
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(Cc2csc3ccccc23)CCOCC1
InChIInChI=1S/C16H21NOS/c1-17-12-16(6-8-18-9-7-16)10-13-11-19-15-5-3-2-4-14(13)15/h2-5,11,17H,6-10,12H2,1H3
InChIKeyMYAPHMHDJZXCBA-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 63736757
N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine
CID 66024029
1-(4-benzyloxan-4-yl)-N-methylmethanamine
CID 62905192
1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62905195
N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine
CID 115768581
[1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine
CID 63738318
3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine
CID 79451537
1-[4-[(2,5-dimethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 55131213
[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
CID 65401475
[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 79479191
1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318658
4-(1-benzothiophen-3-ylmethyl)-2-ethyl-2-methyloxan-4-ol
CID 65149267

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine (CID 63736929) is 1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine is CNCC1(Cc2csc3ccccc23)CCOCC1.
What is the InChIKey of 1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine?
The InChIKey is MYAPHMHDJZXCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-17-12-16(6-8-18-9-7-16)10-13-11-19-15-5-3-2-4-14(13)15/h2-5,11,17H,6-10,12H2,1H3.
What are the key properties of 1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine?
1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 63736929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).