4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline

C12H17FN2 — CID 94333109

IUPAC4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
SMILESCN(C[C@@H]1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2/c1-15(9-11-3-2-8-14-11)12-6-4-10(13)5-7-12/h4-7,11,14H,2-3,8-9H2,1H3/t11-/m0/s1
InChIKeyOACWWFDXQCWHTC-NSHDSACASA-N
MW208.28 g/mol
LogP2.01
Rot. Bonds3

About 4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline

4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline (PubChem CID 94333109) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
PubChem CID94333109
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
SMILESCN(C[C@@H]1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2/c1-15(9-11-3-2-8-14-11)12-6-4-10(13)5-7-12/h4-7,11,14H,2-3,8-9H2,1H3/t11-/m0/s1
InChIKeyOACWWFDXQCWHTC-NSHDSACASA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[azepan-2-ylmethyl(methyl)amino]phenol
CID 84697932
N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208162
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
5-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641981
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245
N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
CID 106642118
N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide
CID 106618597
3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol
CID 84674469
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
N-(azepan-2-ylmethyl)-2-fluoro-N-methylaniline
CID 64569973
5-fluoro-N-methyl-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106642153
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline (CID 94333109) is 4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline is CN(C[C@@H]1CCCN1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
The InChIKey is OACWWFDXQCWHTC-NSHDSACASA-N. The full InChI is InChI=1S/C12H17FN2/c1-15(9-11-3-2-8-14-11)12-6-4-10(13)5-7-12/h4-7,11,14H,2-3,8-9H2,1H3/t11-/m0/s1.
What are the key properties of 4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline has a molecular weight of 208.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline is sourced from PubChem (CID 94333109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).