[4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine

C16H16N2S — CID 116937094

IUPAC[4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine
SMILESNCc1ccc(C(N)c2csc3ccccc23)cc1
InChIInChI=1S/C16H16N2S/c17-9-11-5-7-12(8-6-11)16(18)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,16H,9,17-18H2
InChIKeySDNRLTODVDOZBA-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.41
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine

[4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine (PubChem CID 116937094) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine
PubChem CID116937094
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name[4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine
SMILESNCc1ccc(C(N)c2csc3ccccc23)cc1
InChIInChI=1S/C16H16N2S/c17-9-11-5-7-12(8-6-11)16(18)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,16H,9,17-18H2
InChIKeySDNRLTODVDOZBA-UHFFFAOYSA-N
XLogP3.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-(4-butylphenyl)methanamine
CID 63523268
1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 43150849
4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline
CID 116936917
1-benzothiophen-3-yl-(2,6-difluorophenyl)methanamine
CID 43150877
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
2-amino-1-(1-benzothiophen-3-yl)ethanethiol
CID 116868698
1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine
CID 55101865
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
1-(1-benzothiophen-3-yl)-2-(4-fluorophenyl)ethanamine
CID 43150893
1-benzothiophen-3-yl(quinolin-3-yl)methanamine
CID 115797844

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine?
The IUPAC name of [4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine (CID 116937094) is [4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine?
The canonical SMILES for [4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine is NCc1ccc(C(N)c2csc3ccccc23)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine?
The InChIKey is SDNRLTODVDOZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c17-9-11-5-7-12(8-6-11)16(18)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,16H,9,17-18H2.
What are the key properties of [4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine?
[4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine has a molecular weight of 268.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine is sourced from PubChem (CID 116937094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).