N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline

C12H11BrClNO — CID 106885395

IUPACN-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline
SMILESCc1cccc(Cl)c1NCc1occc1Br
InChIInChI=1S/C12H11BrClNO/c1-8-3-2-4-10(14)12(8)15-7-11-9(13)5-6-16-11/h2-6,15H,7H2,1H3
InChIKeyUGNNPUMRLSWPAI-UHFFFAOYSA-N
MW300.58 g/mol
LogP4.62
Rot. Bonds3

About N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline

N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline (PubChem CID 106885395) has the molecular formula C12H11BrClNO and a molecular weight of 300.58 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline
PubChem CID106885395
Molecular FormulaC12H11BrClNO
Molecular Weight300.58 g/mol
Exact Mass298.97
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline
SMILESCc1cccc(Cl)c1NCc1occc1Br
InChIInChI=1S/C12H11BrClNO/c1-8-3-2-4-10(14)12(8)15-7-11-9(13)5-6-16-11/h2-6,15H,7H2,1H3
InChIKeyUGNNPUMRLSWPAI-UHFFFAOYSA-N
XLogP4.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromofuran-2-yl)methyl]-2-fluoro-6-methylaniline
CID 106885510
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-chloro-6-methylaniline
CID 66252033
N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
N-[(3-bromofuran-2-yl)methyl]-5-chloro-1,3-benzothiazol-4-amine
CID 106885126
2-chloro-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-6-methylaniline
CID 66251869
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-chloro-6-methylaniline
CID 66254209
2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 66253218
2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 107598583
2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
CID 66253245
N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline
CID 103818073
N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline
CID 80703405
2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline
CID 103880716

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline (CID 106885395) is N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline is Cc1cccc(Cl)c1NCc1occc1Br.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline?
The InChIKey is UGNNPUMRLSWPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO/c1-8-3-2-4-10(14)12(8)15-7-11-9(13)5-6-16-11/h2-6,15H,7H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline?
N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline has a molecular weight of 300.58 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline is sourced from PubChem (CID 106885395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).