N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine

C14H20F2N2 — CID 63667561

IUPACN-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2cccc(F)c2F)C1
InChIInChI=1S/C14H20F2N2/c1-2-18-8-4-6-12(10-18)17-9-11-5-3-7-13(15)14(11)16/h3,5,7,12,17H,2,4,6,8-10H2,1H3
InChIKeyAMCMCDADKPUXJF-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.54
Rot. Bonds4

About N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine

N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine (PubChem CID 63667561) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
PubChem CID63667561
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2cccc(F)c2F)C1
InChIInChI=1S/C14H20F2N2/c1-2-18-8-4-6-12(10-18)17-9-11-5-3-7-13(15)14(11)16/h3,5,7,12,17H,2,4,6,8-10H2,1H3
InChIKeyAMCMCDADKPUXJF-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
CID 112606644
N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 63667562
1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 61171918
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 61170750
N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide
CID 66419821
N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 115695883
3-chloro-2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenol
CID 78959324
2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol
CID 45167838
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 63669754
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine
CID 79978789
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine
CID 61169801

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine (CID 63667561) is N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine is CCN1CCCC(NCc2cccc(F)c2F)C1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine?
The InChIKey is AMCMCDADKPUXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-2-18-8-4-6-12(10-18)17-9-11-5-3-7-13(15)14(11)16/h3,5,7,12,17H,2,4,6,8-10H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine?
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine has a molecular weight of 254.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine is sourced from PubChem (CID 63667561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).