N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine

C14H17FN2O — CID 104791911

IUPACN-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCOc1cccc(CNn2c(C)ccc2C)c1F
InChIInChI=1S/C14H17FN2O/c1-10-7-8-11(2)17(10)16-9-12-5-4-6-13(18-3)14(12)15/h4-8,16H,9H2,1-3H3
InChIKeyMOQYWZGFHAQYTK-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.00
Rot. Bonds4

About N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine

N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 104791911) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
PubChem CID104791911
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCOc1cccc(CNn2c(C)ccc2C)c1F
InChIInChI=1S/C14H17FN2O/c1-10-7-8-11(2)17(10)16-9-12-5-4-6-13(18-3)14(12)15/h4-8,16H,9H2,1-3H3
InChIKeyMOQYWZGFHAQYTK-UHFFFAOYSA-N
XLogP3.00
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104791604
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79090813
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 104791514
1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole
CID 104794972
N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine
CID 104791408
3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791512
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline
CID 107592012
4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline
CID 104791781
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine (CID 104791911) is N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine is COc1cccc(CNn2c(C)ccc2C)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is MOQYWZGFHAQYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-10-7-8-11(2)17(10)16-9-12-5-4-6-13(18-3)14(12)15/h4-8,16H,9H2,1-3H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine?
N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 248.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 104791911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).