(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine

C14H20F2N2 — CID 124552545

IUPAC(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
SMILESC[C@H]1CCCN([C@H](CN)c2cc(F)ccc2F)C1
InChIInChI=1S/C14H20F2N2/c1-10-3-2-6-18(9-10)14(8-17)12-7-11(15)4-5-13(12)16/h4-5,7,10,14H,2-3,6,8-9,17H2,1H3/t10-,14+/m0/s1
InChIKeyIVLWCLGNKWTENP-IINYFYTJSA-N
MW254.32 g/mol
LogP2.70
Rot. Bonds3

About (2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine

(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine (PubChem CID 124552545) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is (2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine.

Molecular Properties

Compound Name(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
PubChem CID124552545
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
SMILESC[C@H]1CCCN([C@H](CN)c2cc(F)ccc2F)C1
InChIInChI=1S/C14H20F2N2/c1-10-3-2-6-18(9-10)14(8-17)12-7-11(15)4-5-13(12)16/h4-5,7,10,14H,2-3,6,8-9,17H2,1H3/t10-,14+/m0/s1
InChIKeyIVLWCLGNKWTENP-IINYFYTJSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16784586
(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 93285194
2-(5-chloro-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 114843187
2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624974
2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 62134804
2-(2,5-difluorophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 104958120
2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624416
2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965132
(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552547
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552537

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
The IUPAC name of (2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine (CID 124552545) is (2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine.
What is the SMILES notation for (2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
The canonical SMILES for (2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine is C[C@H]1CCCN([C@H](CN)c2cc(F)ccc2F)C1.
What is the InChIKey of (2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
The InChIKey is IVLWCLGNKWTENP-IINYFYTJSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10-3-2-6-18(9-10)14(8-17)12-7-11(15)4-5-13(12)16/h4-5,7,10,14H,2-3,6,8-9,17H2,1H3/t10-,14+/m0/s1.
What are the key properties of (2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine has a molecular weight of 254.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine is sourced from PubChem (CID 124552545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).