N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine

C18H23NS — CID 65410330

IUPACN-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)C1Cc2ccccc2C1
InChIInChI=1S/C18H23NS/c1-3-8-19-18(17-9-13(2)20-12-17)16-10-14-6-4-5-7-15(14)11-16/h4-7,9,12,16,18-19H,3,8,10-11H2,1-2H3
InChIKeyDTCWMNHUCZLAQQ-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.51
Rot. Bonds5

About N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine

N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 65410330) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID65410330
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC NameN-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)C1Cc2ccccc2C1
InChIInChI=1S/C18H23NS/c1-3-8-19-18(17-9-13(2)20-12-17)16-10-14-6-4-5-7-15(14)11-16/h4-7,9,12,16,18-19H,3,8,10-11H2,1-2H3
InChIKeyDTCWMNHUCZLAQQ-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine
CID 65412296
N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 106892800
N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107189268
N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328877
N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106892715
N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine
CID 105157272
N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 65104445
N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 65105153
2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 65104961
N-[(4-ethylmorpholin-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 79669333
N-[(2-methylsulfanylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991415

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine (CID 65410330) is N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1csc(C)c1)C1Cc2ccccc2C1.
What is the InChIKey of N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is DTCWMNHUCZLAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-3-8-19-18(17-9-13(2)20-12-17)16-10-14-6-4-5-7-15(14)11-16/h4-7,9,12,16,18-19H,3,8,10-11H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine?
N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 65410330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).