N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine

C15H21NOS — CID 80600514

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine
SMILESc1ccc2c(c1)OCC2CNCC1CCCCS1
InChIInChI=1S/C15H21NOS/c1-2-7-15-14(6-1)12(11-17-15)9-16-10-13-5-3-4-8-18-13/h1-2,6-7,12-13,16H,3-5,8-11H2
InChIKeyWWSQXRLNIFIPBP-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.04
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine (PubChem CID 80600514) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine
PubChem CID80600514
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine
SMILESc1ccc2c(c1)OCC2CNCC1CCCCS1
InChIInChI=1S/C15H21NOS/c1-2-7-15-14(6-1)12(11-17-15)9-16-10-13-5-3-4-8-18-13/h1-2,6-7,12-13,16H,3-5,8-11H2
InChIKeyWWSQXRLNIFIPBP-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
CID 79226192
[2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol
CID 79227078
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanamine
CID 79218793
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 79226749
6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
CID 114008270
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-2-methylpropane-1,2-diol
CID 79226361
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 114757554
N-(thian-2-ylmethyl)-9H-fluoren-9-amine
CID 80595574

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine (CID 80600514) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine is c1ccc2c(c1)OCC2CNCC1CCCCS1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine?
The InChIKey is WWSQXRLNIFIPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-7-15-14(6-1)12(11-17-15)9-16-10-13-5-3-4-8-18-13/h1-2,6-7,12-13,16H,3-5,8-11H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine has a molecular weight of 263.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine is sourced from PubChem (CID 80600514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).