1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine

C14H20F2N2 — CID 62615965

IUPAC1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(CCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H20F2N2/c1-17-9-12-3-5-18(10-12)4-2-11-6-13(15)8-14(16)7-11/h6-8,12,17H,2-5,9-10H2,1H3
InChIKeyVRMDXWMIUZANMU-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.05
Rot. Bonds5

About 1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine

1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 62615965) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID62615965
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(CCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H20F2N2/c1-17-9-12-3-5-18(10-12)4-2-11-6-13(15)8-14(16)7-11/h6-8,12,17H,2-5,9-10H2,1H3
InChIKeyVRMDXWMIUZANMU-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine
CID 55093529
1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55081380
1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263845
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
1-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512142
1-[1-[2-(furan-2-yl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62511459
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55169050
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267587
2-(3-fluorophenyl)-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 95302178
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 103815455
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 104869446

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine (CID 62615965) is 1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(CCc2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is VRMDXWMIUZANMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-17-9-12-3-5-18(10-12)4-2-11-6-13(15)8-14(16)7-11/h6-8,12,17H,2-5,9-10H2,1H3.
What are the key properties of 1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 254.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62615965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).