N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline

C14H17FN2 — CID 66444011

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline
SMILESCCn1cccc1CNc1cccc(F)c1C
InChIInChI=1S/C14H17FN2/c1-3-17-9-5-6-12(17)10-16-14-8-4-7-13(15)11(14)2/h4-9,16H,3,10H2,1-2H3
InChIKeyDCWCLAKMQKYDGK-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.57
Rot. Bonds4

About N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline

N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline (PubChem CID 66444011) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline
PubChem CID66444011
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline
SMILESCCn1cccc1CNc1cccc(F)c1C
InChIInChI=1S/C14H17FN2/c1-3-17-9-5-6-12(17)10-16-14-8-4-7-13(15)11(14)2/h4-9,16H,3,10H2,1-2H3
InChIKeyDCWCLAKMQKYDGK-UHFFFAOYSA-N
XLogP3.57
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline
CID 66411289
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline
CID 66412091
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
CID 66410705
methyl 3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylbenzoate
CID 66411733
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline
CID 66413254
N-[(1-ethylpyrrol-2-yl)methyl]-2-iodoaniline
CID 66413670
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 66410951
2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 114254465
N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66411865
4-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoroaniline
CID 66445212
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480538
3-fluoro-2-methyl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117080

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline (CID 66444011) is N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline is CCn1cccc1CNc1cccc(F)c1C.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline?
The InChIKey is DCWCLAKMQKYDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-3-17-9-5-6-12(17)10-16-14-8-4-7-13(15)11(14)2/h4-9,16H,3,10H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline?
N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline has a molecular weight of 232.30 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline is sourced from PubChem (CID 66444011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).