N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine

C12H10BrClFNS — CID 60975561

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2cc(Br)cs2)c(Cl)c1
InChIInChI=1S/C12H10BrClFNS/c13-9-3-11(17-7-9)6-16-5-8-1-2-10(15)4-12(8)14/h1-4,7,16H,5-6H2
InChIKeyLTVWVUWEIACPJM-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.59
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine

N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine (PubChem CID 60975561) has the molecular formula C12H10BrClFNS and a molecular weight of 334.64 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine
PubChem CID60975561
Molecular FormulaC12H10BrClFNS
Molecular Weight334.64 g/mol
Exact Mass332.94
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2cc(Br)cs2)c(Cl)c1
InChIInChI=1S/C12H10BrClFNS/c13-9-3-11(17-7-9)6-16-5-8-1-2-10(15)4-12(8)14/h1-4,7,16H,5-6H2
InChIKeyLTVWVUWEIACPJM-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine
CID 54900023
4-[[(4-bromothiophen-2-yl)methylamino]methyl]benzene-1,3-diol
CID 63378742
N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115579770
1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415684
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469947
1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine
CID 60956586
N-[(2-chloro-4-fluorophenyl)methyl]prop-2-en-1-amine
CID 28563338
N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 113470951
1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine
CID 115634848
N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
CID 4792507
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-2-(propylaminomethyl)aniline
CID 63552121
2-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 102920830

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine (CID 60975561) is N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine is Fc1ccc(CNCc2cc(Br)cs2)c(Cl)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine?
The InChIKey is LTVWVUWEIACPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNS/c13-9-3-11(17-7-9)6-16-5-8-1-2-10(15)4-12(8)14/h1-4,7,16H,5-6H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine?
N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine has a molecular weight of 334.64 g/mol, XLogP of 4.59, 4 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]-1-(2-chloro-4-fluorophenyl)methanamine is sourced from PubChem (CID 60975561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).