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

C14H21FN2 — CID 83073883

IUPACN-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline
SMILESCCC1(CN(C)c2cccc(F)c2)CCCN1
InChIInChI=1S/C14H21FN2/c1-3-14(8-5-9-16-14)11-17(2)13-7-4-6-12(15)10-13/h4,6-7,10,16H,3,5,8-9,11H2,1-2H3
InChIKeyLHBCXMWJOZXYCD-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.79
Rot. Bonds4

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

N-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline (PubChem CID 83073883) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline
PubChem CID83073883
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline
SMILESCCC1(CN(C)c2cccc(F)c2)CCCN1
InChIInChI=1S/C14H21FN2/c1-3-14(8-5-9-16-14)11-17(2)13-7-4-6-12(15)10-13/h4,6-7,10,16H,3,5,8-9,11H2,1-2H3
InChIKeyLHBCXMWJOZXYCD-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline (CID 83073883) is N-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline is CCC1(CN(C)c2cccc(F)c2)CCCN1.
What is the InChIKey of N-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline?
The InChIKey is LHBCXMWJOZXYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-14(8-5-9-16-14)11-17(2)13-7-4-6-12(15)10-13/h4,6-7,10,16H,3,5,8-9,11H2,1-2H3.
What are the key properties of N-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline?
N-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline has a molecular weight of 236.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 83073883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).