N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine

C18H19NS — CID 43287188

IUPACN-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccc3ccccc3c2)s1
InChIInChI=1S/C18H19NS/c1-2-11-19-13-17-9-10-18(20-17)16-8-7-14-5-3-4-6-15(14)12-16/h3-10,12,19H,2,11,13H2,1H3
InChIKeyBFOPLANVNPPGRN-UHFFFAOYSA-N
MW281.42 g/mol
LogP5.07
Rot. Bonds5

About N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine

N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 43287188) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine
PubChem CID43287188
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC NameN-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccc3ccccc3c2)s1
InChIInChI=1S/C18H19NS/c1-2-11-19-13-17-9-10-18(20-17)16-8-7-14-5-3-4-6-15(14)12-16/h3-10,12,19H,2,11,13H2,1H3
InChIKeyBFOPLANVNPPGRN-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287183
N-[[5-[4-bromo-3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]propan-1-amine
CID 64855339
N-[[5-(4-butylphenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287428
N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine
CID 114254901
N-[[5-(2,4,5-trichlorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287438
N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287254
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
N-[[5-(3-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287164
N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 55187278
2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222657
N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 62814080
5-naphthalen-2-ylthiophen-2-amine
CID 67962708

Frequently Asked Questions

What is the IUPAC name of N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine (CID 43287188) is N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine is CCCNCc1ccc(-c2ccc3ccccc3c2)s1.
What is the InChIKey of N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is BFOPLANVNPPGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-2-11-19-13-17-9-10-18(20-17)16-8-7-14-5-3-4-6-15(14)12-16/h3-10,12,19H,2,11,13H2,1H3.
What are the key properties of N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine?
N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43287188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).