N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride

C14H21ClF2N2 — CID 119921538

IUPACN-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
SMILESCCCN(Cc1ccc(F)cc1F)C1CCNC1.Cl
InChIInChI=1S/C14H20F2N2.ClH/c1-2-7-18(13-5-6-17-9-13)10-11-3-4-12(15)8-14(11)16;/h3-4,8,13,17H,2,5-7,9-10H2,1H3;1H
InChIKeyAUBHPWDCEPNXLW-UHFFFAOYSA-N
MW290.78 g/mol
LogP2.96
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride

N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride (PubChem CID 119921538) has the molecular formula C14H21ClF2N2 and a molecular weight of 290.78 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
PubChem CID119921538
Molecular FormulaC14H21ClF2N2
Molecular Weight290.78 g/mol
Exact Mass290.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
SMILESCCCN(Cc1ccc(F)cc1F)C1CCNC1.Cl
InChIInChI=1S/C14H20F2N2.ClH/c1-2-7-18(13-5-6-17-9-13)10-11-3-4-12(15)8-14(11)16;/h3-4,8,13,17H,2,5-7,9-10H2,1H3;1H
InChIKeyAUBHPWDCEPNXLW-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
5-fluoro-2-[[propyl(pyrrolidin-3-yl)amino]methyl]benzonitrile
CID 63304215
N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297959
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119932804
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63637857
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119933025
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806488
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
N-[(2,4-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232072
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63636123

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride (CID 119921538) is N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride is CCCN(Cc1ccc(F)cc1F)C1CCNC1.Cl.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride?
The InChIKey is AUBHPWDCEPNXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2.ClH/c1-2-7-18(13-5-6-17-9-13)10-11-3-4-12(15)8-14(11)16;/h3-4,8,13,17H,2,5-7,9-10H2,1H3;1H.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride?
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride has a molecular weight of 290.78 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119921538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).