N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine

C18H18BrNS — CID 65278880

IUPACN-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1sc(C)cc1Br
InChIInChI=1S/C18H18BrNS/c1-3-20-17(18-16(19)10-12(2)21-18)15-9-8-13-6-4-5-7-14(13)11-15/h4-11,17,20H,3H2,1-2H3
InChIKeyPQQLHNZQHIRGPD-UHFFFAOYSA-N
MW360.32 g/mol
LogP5.67
Rot. Bonds4

About N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine

N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine (PubChem CID 65278880) has the molecular formula C18H18BrNS and a molecular weight of 360.32 g/mol. Its IUPAC name is N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
PubChem CID65278880
Molecular FormulaC18H18BrNS
Molecular Weight360.32 g/mol
Exact Mass359.03
IUPAC NameN-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1sc(C)cc1Br
InChIInChI=1S/C18H18BrNS/c1-3-20-17(18-16(19)10-12(2)21-18)15-9-8-13-6-4-5-7-14(13)11-15/h4-11,17,20H,3H2,1-2H3
InChIKeyPQQLHNZQHIRGPD-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.32
LogP ≤ 55.67
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-[(3-bromo-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107950801
N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 103405840
N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115850996
N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 80528896
N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851065
N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine
CID 65278364
N-[(2-methylphenyl)-naphthalen-2-ylmethyl]ethanamine
CID 63413907
N-[(3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 65279517
1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 113396708
N-[(3,5-dibromophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107979894
N-[(6-methyl-3-pyridinyl)-naphthalen-2-ylmethyl]ethanamine
CID 63155569

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine (CID 65278880) is N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine is CCNC(c1ccc2ccccc2c1)c1sc(C)cc1Br.
What is the InChIKey of N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The InChIKey is PQQLHNZQHIRGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNS/c1-3-20-17(18-16(19)10-12(2)21-18)15-9-8-13-6-4-5-7-14(13)11-15/h4-11,17,20H,3H2,1-2H3.
What are the key properties of N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine has a molecular weight of 360.32 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine is sourced from PubChem (CID 65278880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).