N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

C18H25NOS — CID 63736757

IUPACN-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2csc3ccccc23)CCOC1
InChIInChI=1S/C18H25NOS/c1-14(2)10-19-12-18(7-8-20-13-18)9-15-11-21-17-6-4-3-5-16(15)17/h3-6,11,14,19H,7-10,12-13H2,1-2H3
InChIKeyFSSZIUOWFAWDPM-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.10
Rot. Bonds6

About N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63736757) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID63736757
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2csc3ccccc23)CCOC1
InChIInChI=1S/C18H25NOS/c1-14(2)10-19-12-18(7-8-20-13-18)9-15-11-21-17-6-4-3-5-16(15)17/h3-6,11,14,19H,7-10,12-13H2,1-2H3
InChIKeyFSSZIUOWFAWDPM-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine
CID 63736929
N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 105374959
N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 102619921
N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine
CID 115768581
2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine
CID 62719041
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256273
[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 79479191
N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine
CID 66024029
N-[[4-[(2,6-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 114933661
[1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine
CID 63738318
N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66025587
2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62905753

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 63736757) is N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(Cc2csc3ccccc23)CCOC1.
What is the InChIKey of N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is FSSZIUOWFAWDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-14(2)10-19-12-18(7-8-20-13-18)9-15-11-21-17-6-4-3-5-16(15)17/h3-6,11,14,19H,7-10,12-13H2,1-2H3.
What are the key properties of N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63736757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).