N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine

C14H20F2N2 — CID 63299279

IUPACN-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
SMILESCCN(C1CCNC1)C(C)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2/c1-3-18(12-6-7-17-9-12)10(2)13-5-4-11(15)8-14(13)16/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3
InChIKeyNOGFZSQKAZBIEA-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.71
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine

N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine (PubChem CID 63299279) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
PubChem CID63299279
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
SMILESCCN(C1CCNC1)C(C)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2/c1-3-18(12-6-7-17-9-12)10(2)13-5-4-11(15)8-14(13)16/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3
InChIKeyNOGFZSQKAZBIEA-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol
CID 107720760
2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63644320
4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115999
N-[1-(2,4-difluorophenyl)ethyl]-N-methylpiperidin-3-amine
CID 55248346
N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299507
N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine
CID 114080634
N-[1-(2,4-difluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172162
N-[1-(4-bromo-2-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 82970177
5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636382
N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698898
N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297959
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 63301494

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine (CID 63299279) is N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine is CCN(C1CCNC1)C(C)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine?
The InChIKey is NOGFZSQKAZBIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-3-18(12-6-7-17-9-12)10(2)13-5-4-11(15)8-14(13)16/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine?
N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine has a molecular weight of 254.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 63299279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).