N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine

C17H16BrNS — CID 79597209

IUPACN-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H16BrNS/c1-2-19-17(12-9-10-20-11-12)15-7-8-16(18)14-6-4-3-5-13(14)15/h3-11,17,19H,2H2,1H3
InChIKeyOMBNZZQKQJFPNM-UHFFFAOYSA-N
MW346.29 g/mol
LogP5.36
Rot. Bonds4

About N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine

N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine (PubChem CID 79597209) has the molecular formula C17H16BrNS and a molecular weight of 346.29 g/mol. Its IUPAC name is N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine
PubChem CID79597209
Molecular FormulaC17H16BrNS
Molecular Weight346.29 g/mol
Exact Mass345.02
IUPAC NameN-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H16BrNS/c1-2-19-17(12-9-10-20-11-12)15-7-8-16(18)14-6-4-3-5-13(14)15/h3-11,17,19H,2H2,1H3
InChIKeyOMBNZZQKQJFPNM-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.29
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene
CID 79597717
N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine
CID 106851857
N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 114330646
N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489786
N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489387
N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine
CID 114647272
N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine
CID 79596933
N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489158
N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 106857785
N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine
CID 43488230
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
N-[1-benzothiophen-3-yl-(4-bromophenyl)methyl]ethanamine
CID 43492345

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine?
The IUPAC name of N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine (CID 79597209) is N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine is CCNC(c1ccsc1)c1ccc(Br)c2ccccc12.
What is the InChIKey of N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine?
The InChIKey is OMBNZZQKQJFPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNS/c1-2-19-17(12-9-10-20-11-12)15-7-8-16(18)14-6-4-3-5-13(14)15/h3-11,17,19H,2H2,1H3.
What are the key properties of N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine?
N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine has a molecular weight of 346.29 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine is sourced from PubChem (CID 79597209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).