N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine

C15H22F2N2 — CID 115528974

IUPACN-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C)C1c1cccc(C(F)F)c1
InChIInChI=1S/C15H22F2N2/c1-3-18-10-13-7-8-19(2)14(13)11-5-4-6-12(9-11)15(16)17/h4-6,9,13-15,18H,3,7-8,10H2,1-2H3
InChIKeyYRTPCIKHABXDMW-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.23
Rot. Bonds5

About N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine

N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine (PubChem CID 115528974) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine
PubChem CID115528974
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C)C1c1cccc(C(F)F)c1
InChIInChI=1S/C15H22F2N2/c1-3-18-10-13-7-8-19(2)14(13)11-5-4-6-12(9-11)15(16)17/h4-6,9,13-15,18H,3,7-8,10H2,1-2H3
InChIKeyYRTPCIKHABXDMW-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine
CID 113329185
N-[[1-methyl-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 114075931
N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
CID 115525468
5-[3-(ethylaminomethyl)-1-methylpyrrolidin-2-yl]-2-methoxybenzonitrile
CID 65336214
N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 115530338
[3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine
CID 115529030
5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one
CID 115529120
N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
CID 79977325
1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine
CID 113329497
N-[[2-(5-chloro-2-fluorophenyl)-1-methylazepan-3-yl]methyl]ethanamine
CID 114866623
1-cyclohexyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]methanamine
CID 128997853
1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 129000980

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine (CID 115528974) is N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(C)C1c1cccc(C(F)F)c1.
What is the InChIKey of N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is YRTPCIKHABXDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-3-18-10-13-7-8-19(2)14(13)11-5-4-6-12(9-11)15(16)17/h4-6,9,13-15,18H,3,7-8,10H2,1-2H3.
What are the key properties of N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine?
N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 268.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 115528974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).