N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine

C13H19FN2 — CID 61412988

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCN(Cc1ccc(F)cc1)CC1CCCN1
InChIInChI=1S/C13H19FN2/c1-16(10-13-3-2-8-15-13)9-11-4-6-12(14)7-5-11/h4-7,13,15H,2-3,8-10H2,1H3
InChIKeyZNBYBFXTUTXXNR-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.01
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine

N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine (PubChem CID 61412988) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
PubChem CID61412988
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCN(Cc1ccc(F)cc1)CC1CCCN1
InChIInChI=1S/C13H19FN2/c1-16(10-13-3-2-8-15-13)9-11-4-6-12(14)7-5-11/h4-7,13,15H,2-3,8-10H2,1H3
InChIKeyZNBYBFXTUTXXNR-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-methyl-1-pyrrolidin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)methanamine
CID 115208315
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613733
N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 106623045
N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 106622875
4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 94333109
N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106635442
N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106622922
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106622812
N-[(5-fluoro-2-nitrophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106614171
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208337
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 115208323

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine (CID 61412988) is N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine is CN(Cc1ccc(F)cc1)CC1CCCN1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
The InChIKey is ZNBYBFXTUTXXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-16(10-13-3-2-8-15-13)9-11-4-6-12(14)7-5-11/h4-7,13,15H,2-3,8-10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 61412988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).