N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine

C15H12BrNS — CID 43680355

IUPACN-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine
SMILESBrc1csc(CNc2ccc3ccccc3c2)c1
InChIInChI=1S/C15H12BrNS/c16-13-8-15(18-10-13)9-17-14-6-5-11-3-1-2-4-12(11)7-14/h1-8,10,17H,9H2
InChIKeyBTEJVNKOLYJDBH-UHFFFAOYSA-N
MW318.24 g/mol
LogP5.28
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine

N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine (PubChem CID 43680355) has the molecular formula C15H12BrNS and a molecular weight of 318.24 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine
PubChem CID43680355
Molecular FormulaC15H12BrNS
Molecular Weight318.24 g/mol
Exact Mass316.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine
SMILESBrc1csc(CNc2ccc3ccccc3c2)c1
InChIInChI=1S/C15H12BrNS/c16-13-8-15(18-10-13)9-17-14-6-5-11-3-1-2-4-12(11)7-14/h1-8,10,17H,9H2
InChIKeyBTEJVNKOLYJDBH-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.24
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine
CID 43691316
N-(thiophen-2-ylmethyl)naphthalen-2-amine
CID 4674609
N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine
CID 113345249
5-[(4-bromothiophen-2-yl)methylamino]-2-fluorobenzoic acid
CID 43728012
2-amino-4-[(4-bromothiophen-2-yl)methylamino]benzenesulfonamide
CID 79466376
4-[(4-bromothiophen-2-yl)methylamino]-2-fluorobenzonitrile
CID 113295715
1-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]ethanone
CID 115586166
4-[(4-bromothiophen-2-yl)methylamino]-2-fluorobenzoic acid
CID 115485490
N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)aniline
CID 43673183
N-[(2-methyl-1,3-thiazol-5-yl)methyl]naphthalen-2-amine
CID 60942096
2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720284
N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720906

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine (CID 43680355) is N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine is Brc1csc(CNc2ccc3ccccc3c2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine?
The InChIKey is BTEJVNKOLYJDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNS/c16-13-8-15(18-10-13)9-17-14-6-5-11-3-1-2-4-12(11)7-14/h1-8,10,17H,9H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine?
N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine has a molecular weight of 318.24 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 43680355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).