N-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine

C14H21FN2 — CID 114085144

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine
SMILESC[C@@H]1CNC[C@H]1CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-11-7-16-8-13(11)10-17(2)9-12-3-5-14(15)6-4-12/h3-6,11,13,16H,7-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyXEIUGVPENOUVEM-YPMHNXCESA-N
MW236.33 g/mol
LogP2.11
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine

N-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine (PubChem CID 114085144) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine
PubChem CID114085144
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine
SMILESC[C@@H]1CNC[C@H]1CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-11-7-16-8-13(11)10-17(2)9-12-3-5-14(15)6-4-12/h3-6,11,13,16H,7-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyXEIUGVPENOUVEM-YPMHNXCESA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine
CID 63716370
4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 62609412
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238410
N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-2-pyridin-4-ylethanamine
CID 55229589
4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine
CID 66244984
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866407
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 115261999
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 114011973
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 102894333

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine (CID 114085144) is N-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine is C[C@@H]1CNC[C@H]1CN(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine?
The InChIKey is XEIUGVPENOUVEM-YPMHNXCESA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-7-16-8-13(11)10-17(2)9-12-3-5-14(15)6-4-12/h3-6,11,13,16H,7-10H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine?
N-[(4-fluorophenyl)methyl]-N-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine has a molecular weight of 236.33 g/mol, XLogP of 2.11, 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-[(3S,4S)-4-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 114085144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).