2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine

C17H26F2N2 — CID 83986706

IUPAC2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
SMILESCC(C)CN1CCCCC1C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C17H26F2N2/c1-12(2)11-21-8-4-3-5-17(21)14(10-20)13-6-7-15(18)16(19)9-13/h6-7,9,12,14,17H,3-5,8,10-11,20H2,1-2H3
InChIKeyBQGIJJWPBNRIMN-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.52
Rot. Bonds5

About 2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine

2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine (PubChem CID 83986706) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
PubChem CID83986706
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC Name2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
SMILESCC(C)CN1CCCCC1C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C17H26F2N2/c1-12(2)11-21-8-4-3-5-17(21)14(10-20)13-6-7-15(18)16(19)9-13/h6-7,9,12,14,17H,3-5,8,10-11,20H2,1-2H3
InChIKeyBQGIJJWPBNRIMN-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986705
4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol
CID 83987245
2-(3,4-dimethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986310
(1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol
CID 95303642
1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 107521582
2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
CID 82084320
2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
CID 83973673
2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83987539
2-(1-ethylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986506
2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986396
2-[1-(2-methylpropyl)piperidin-2-yl]-2-(1,3-thiazol-2-yl)ethanamine
CID 83987819
4-[2-amino-1-(1-ethylpiperidin-2-yl)ethyl]phenol
CID 83987243

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine (CID 83986706) is 2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine is CC(C)CN1CCCCC1C(CN)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine?
The InChIKey is BQGIJJWPBNRIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-12(2)11-21-8-4-3-5-17(21)14(10-20)13-6-7-15(18)16(19)9-13/h6-7,9,12,14,17H,3-5,8,10-11,20H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine?
2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine has a molecular weight of 296.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 83986706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).