N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine

C17H16ClNS — CID 80528896

IUPACN-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1sccc1Cl
InChIInChI=1S/C17H16ClNS/c1-2-19-16(17-15(18)9-10-20-17)14-8-7-12-5-3-4-6-13(12)11-14/h3-11,16,19H,2H2,1H3
InChIKeyHCHXFFHETVSNAT-UHFFFAOYSA-N
MW301.84 g/mol
LogP5.25
Rot. Bonds4

About N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine

N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine (PubChem CID 80528896) has the molecular formula C17H16ClNS and a molecular weight of 301.84 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
PubChem CID80528896
Molecular FormulaC17H16ClNS
Molecular Weight301.84 g/mol
Exact Mass301.07
IUPAC NameN-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1sccc1Cl
InChIInChI=1S/C17H16ClNS/c1-2-19-16(17-15(18)9-10-20-17)14-8-7-12-5-3-4-6-13(12)11-14/h3-11,16,19H,2H2,1H3
InChIKeyHCHXFFHETVSNAT-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.84
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851065
N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 103405840
N-[(3-chlorothiophen-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 80529029
N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 80529194
N-[(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 80529223
N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine
CID 105050526
N-[(3-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methyl]ethanamine
CID 80528916
N-[(3-chlorothiophen-2-yl)-(4-propoxyphenyl)methyl]ethanamine
CID 115853483
N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
CID 80529572
N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854136
N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 107361874
N-[(3-chlorothiophen-2-yl)-isoquinolin-1-ylmethyl]ethanamine
CID 107359738

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine (CID 80528896) is N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine is CCNC(c1ccc2ccccc2c1)c1sccc1Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The InChIKey is HCHXFFHETVSNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNS/c1-2-19-16(17-15(18)9-10-20-17)14-8-7-12-5-3-4-6-13(12)11-14/h3-11,16,19H,2H2,1H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine has a molecular weight of 301.84 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine is sourced from PubChem (CID 80528896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).