N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine

C19H21NS — CID 115850996

IUPACN-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1cc(C)c(C)s1
InChIInChI=1S/C19H21NS/c1-4-20-19(18-11-13(2)14(3)21-18)17-10-9-15-7-5-6-8-16(15)12-17/h5-12,19-20H,4H2,1-3H3
InChIKeyDRDMNDSQNNSUCH-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.22
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine

N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine (PubChem CID 115850996) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
PubChem CID115850996
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1cc(C)c(C)s1
InChIInChI=1S/C19H21NS/c1-4-20-19(18-11-13(2)14(3)21-18)17-10-9-15-7-5-6-8-16(15)12-17/h5-12,19-20H,4H2,1-3H3
InChIKeyDRDMNDSQNNSUCH-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 43488213
N-[(2-methylphenyl)-naphthalen-2-ylmethyl]ethanamine
CID 63413907
N-[(4-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 105051409
N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 115851555
N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 65278880
N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 103405840
N-[(4,5-dimethylthiophen-2-yl)-isoquinolin-4-ylmethyl]ethanamine
CID 115856168
N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 105044884
N-[(4,5-dimethylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 79746806
N-[(6-methyl-3-pyridinyl)-naphthalen-2-ylmethyl]ethanamine
CID 63155569
N-[(3-chlorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 115811211
N-[(4,5-dimethylthiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 65237749

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine (CID 115850996) is N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine is CCNC(c1ccc2ccccc2c1)c1cc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The InChIKey is DRDMNDSQNNSUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-4-20-19(18-11-13(2)14(3)21-18)17-10-9-15-7-5-6-8-16(15)12-17/h5-12,19-20H,4H2,1-3H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine has a molecular weight of 295.45 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine is sourced from PubChem (CID 115850996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).