3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine

C17H17ClN2S — CID 61439853

IUPAC3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine
SMILESCN(Cc1ccc(Cl)s1)Cc1cc2ccccc2cc1N
InChIInChI=1S/C17H17ClN2S/c1-20(11-15-6-7-17(18)21-15)10-14-8-12-4-2-3-5-13(12)9-16(14)19/h2-9H,10-11,19H2,1H3
InChIKeyLYZCSMRESUYHJE-UHFFFAOYSA-N
MW316.86 g/mol
LogP4.77
Rot. Bonds4

About 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine

3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine (PubChem CID 61439853) has the molecular formula C17H17ClN2S and a molecular weight of 316.86 g/mol. Its IUPAC name is 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine.

Molecular Properties

Compound Name3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine
PubChem CID61439853
Molecular FormulaC17H17ClN2S
Molecular Weight316.86 g/mol
Exact Mass316.08
IUPAC Name3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine
SMILESCN(Cc1ccc(Cl)s1)Cc1cc2ccccc2cc1N
InChIInChI=1S/C17H17ClN2S/c1-20(11-15-6-7-17(18)21-15)10-14-8-12-4-2-3-5-13(12)9-16(14)19/h2-9H,10-11,19H2,1H3
InChIKeyLYZCSMRESUYHJE-UHFFFAOYSA-N
XLogP4.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.86
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]benzoic acid
CID 104824459
2-amino-4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]phenol
CID 61438284
2-bromo-5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]aniline
CID 113335086
4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-3-(trifluoromethyl)aniline
CID 81117412
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904227
3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine
CID 61214265
2-[[(5-chlorothiophen-2-yl)methyl-propan-2-ylamino]methyl]aniline
CID 43460472
[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine
CID 63289452
2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylethanamine
CID 81322722
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine
CID 63657165
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
CID 39735523

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine?
The IUPAC name of 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine (CID 61439853) is 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine.
What is the SMILES notation for 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine?
The canonical SMILES for 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine is CN(Cc1ccc(Cl)s1)Cc1cc2ccccc2cc1N.
What is the InChIKey of 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine?
The InChIKey is LYZCSMRESUYHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2S/c1-20(11-15-6-7-17(18)21-15)10-14-8-12-4-2-3-5-13(12)9-16(14)19/h2-9H,10-11,19H2,1H3.
What are the key properties of 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine?
3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine has a molecular weight of 316.86 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine is sourced from PubChem (CID 61439853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).