1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine

C18H19NS — CID 63737079

IUPAC1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(CC(N)Cc2csc3ccccc23)c1
InChIInChI=1S/C18H19NS/c1-13-5-4-6-14(9-13)10-16(19)11-15-12-20-18-8-3-2-7-17(15)18/h2-9,12,16H,10-11,19H2,1H3
InChIKeyRWUNNBARCBNVIU-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.32
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine

1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine (PubChem CID 63737079) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine
PubChem CID63737079
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC Name1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(CC(N)Cc2csc3ccccc23)c1
InChIInChI=1S/C18H19NS/c1-13-5-4-6-14(9-13)10-16(19)11-15-12-20-18-8-3-2-7-17(15)18/h2-9,12,16H,10-11,19H2,1H3
InChIKeyRWUNNBARCBNVIU-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol
CID 66060121
1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 63737420
1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105116551
1-(1-benzothiophen-3-yl)heptan-2-amine
CID 115823990
1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097364
1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135783
3-(2-methyl-3-phenylpropyl)-1-benzothiophene
CID 4715035
(3S)-3-amino-4-(1-benzothiophen-3-yl)butanoic acid;(3S)-3-amino-4-(3,4-difluorophenyl)butanoic acid
CID 162169953
2-(1-benzothiophen-3-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789815
2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115823714
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
CID 65420177

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine (CID 63737079) is 1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine is Cc1cccc(CC(N)Cc2csc3ccccc23)c1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine?
The InChIKey is RWUNNBARCBNVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-13-5-4-6-14(9-13)10-16(19)11-15-12-20-18-8-3-2-7-17(15)18/h2-9,12,16H,10-11,19H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine?
1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine has a molecular weight of 281.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 63737079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).