N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine

C19H25NS — CID 63452623

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCc2cc3c(s2)CCC3)c1
InChIInChI=1S/C19H25NS/c1-14-5-3-6-16(11-14)10-9-15(2)20-13-18-12-17-7-4-8-19(17)21-18/h3,5-6,11-12,15,20H,4,7-10,13H2,1-2H3
InChIKeyBSGYWZSHAXQYTR-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.66
Rot. Bonds6

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine (PubChem CID 63452623) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine
PubChem CID63452623
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCc2cc3c(s2)CCC3)c1
InChIInChI=1S/C19H25NS/c1-14-5-3-6-16(11-14)10-9-15(2)20-13-18-12-17-7-4-8-19(17)21-18/h3,5-6,11-12,15,20H,4,7-10,13H2,1-2H3
InChIKeyBSGYWZSHAXQYTR-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
CID 61169939
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine
CID 115711448
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 63452368
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
CID 61208159
4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine
CID 61171888
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 106042005
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine
CID 115717106

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine (CID 63452623) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine is Cc1cccc(CCC(C)NCc2cc3c(s2)CCC3)c1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine?
The InChIKey is BSGYWZSHAXQYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-14-5-3-6-16(11-14)10-9-15(2)20-13-18-12-17-7-4-8-19(17)21-18/h3,5-6,11-12,15,20H,4,7-10,13H2,1-2H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine has a molecular weight of 299.48 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 63452623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).