2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine

C19H23NS — CID 79228842

IUPAC2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)CC2Cc3ccccc3S2)c1
InChIInChI=1S/C19H23NS/c1-14-5-4-6-15(9-14)10-16(13-20)11-18-12-17-7-2-3-8-19(17)21-18/h2-9,16,18H,10-13,20H2,1H3
InChIKeyNDLCMMFOQXFMQC-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.22
Rot. Bonds5

About 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine (PubChem CID 79228842) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine
PubChem CID79228842
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)CC2Cc3ccccc3S2)c1
InChIInChI=1S/C19H23NS/c1-14-5-4-6-15(9-14)10-16(13-20)11-18-12-17-7-2-3-8-19(17)21-18/h2-9,16,18H,10-13,20H2,1H3
InChIKeyNDLCMMFOQXFMQC-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(chloromethyl)-3-(3-methylphenyl)propyl]-2,3-dihydro-1-benzothiophene
CID 79206469
2-[2-(chloromethyl)pentyl]-2,3-dihydro-1-benzothiophene
CID 79224178
[1-(2,3-dihydro-1H-inden-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105234150
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine
CID 79223273
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine
CID 79228415
4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62529986
2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530370
2-(3-bromo-2-methylbutyl)-2,3-dihydro-1-benzothiophene
CID 79228756
(2S)-2-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,2-diamine
CID 104867546
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 83159637
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N,4-dimethylpentan-1-amine
CID 79227512

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine (CID 79228842) is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine is Cc1cccc(CC(CN)CC2Cc3ccccc3S2)c1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine?
The InChIKey is NDLCMMFOQXFMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-14-5-4-6-15(9-14)10-16(13-20)11-18-12-17-7-2-3-8-19(17)21-18/h2-9,16,18H,10-13,20H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine?
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79228842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).