1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine

C19H19NS — CID 81128732

IUPAC1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine
SMILESNC(c1cccc2ccsc12)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H19NS/c20-18(16-9-4-6-14-10-13-21-17(14)16)19(11-5-12-19)15-7-2-1-3-8-15/h1-4,6-10,13,18H,5,11-12,20H2
InChIKeyAALRYTLCOZUVPW-UHFFFAOYSA-N
MW293.44 g/mol
LogP5.02
Rot. Bonds3

About 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine

1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine (PubChem CID 81128732) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine
PubChem CID81128732
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine
SMILESNC(c1cccc2ccsc12)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H19NS/c20-18(16-9-4-6-14-10-13-21-17(14)16)19(11-5-12-19)15-7-2-1-3-8-15/h1-4,6-10,13,18H,5,11-12,20H2
InChIKeyAALRYTLCOZUVPW-UHFFFAOYSA-N
XLogP5.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzo(B)Thiophen-3-Ylmethylamine
CID 2776347
3-(Benzo[b]thiophen-5-yl)-3-benzylpyrrolidine
CID 44231007
1-Benzothiophen-5-ylmethylamine
CID 2795448
2-(2-Phenyl-1-benzothiophen-3-yl)ethanamine
CID 12412185
(5-Tert-butyl-1-benzothiophen-2-yl)methanamine
CID 84740294
1-(1-Benzothiophen-3-yl)methanamine hydrochloride
CID 2776346
1-Benzothiophen-5-ylmethanamine hydrochloride
CID 45595294
(R)-1-(benzo[b]thiophen-3-yl)ethanamine hydrochloride
CID 66906241
(3-Methyl-1-benzothiophen-2-yl)methanamine
CID 67504872
1-(1-Benzothiophen-3-yl)ethan-1-amine hydrochloride
CID 70373336
N-(1-benzothiophen-7-ylmethyl)-N-methyl-1-[4-(2-phenylpropan-2-yl)phenyl]methanamine
CID 460680
(2-Phenyl-1-benzothiophen-3-yl)methanamine
CID 16639896

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine?
The IUPAC name of 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine (CID 81128732) is 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine.
What is the SMILES notation for 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine?
The canonical SMILES for 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine is NC(c1cccc2ccsc12)C1(c2ccccc2)CCC1.
What is the InChIKey of 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine?
The InChIKey is AALRYTLCOZUVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c20-18(16-9-4-6-14-10-13-21-17(14)16)19(11-5-12-19)15-7-2-1-3-8-15/h1-4,6-10,13,18H,5,11-12,20H2.
What are the key properties of 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine?
1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine has a molecular weight of 293.44 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine is sourced from PubChem (CID 81128732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).