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

C14H21ClF2N2 — CID 119921462

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

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

N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride (PubChem CID 119921462) has the molecular formula C14H21ClF2N2 and a molecular weight of 290.78 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
PubChem CID119921462
Molecular FormulaC14H21ClF2N2
Molecular Weight290.78 g/mol
Exact Mass290.14
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
SMILESCCCN(Cc1ccc(F)c(F)c1)C1CCNC1.Cl
InChIInChI=1S/C14H20F2N2.ClH/c1-2-7-18(12-5-6-17-9-12)10-11-3-4-13(15)14(16)8-11;/h3-4,8,12,17H,2,5-7,9-10H2,1H3;1H
InChIKeyKYJWEYBXQXUNNE-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-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 55244427
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041
N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115119108
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 106264854

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride (CID 119921462) is N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride is CCCN(Cc1ccc(F)c(F)c1)C1CCNC1.Cl.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride?
The InChIKey is KYJWEYBXQXUNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2.ClH/c1-2-7-18(12-5-6-17-9-12)10-11-3-4-13(15)14(16)8-11;/h3-4,8,12,17H,2,5-7,9-10H2,1H3;1H.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride?
N-[(3,4-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-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119921462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).