N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine

C14H20F2N2 — CID 113222770

IUPACN-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1ccc(F)c(F)c1)N1CCCC1
InChIInChI=1S/C14H20F2N2/c1-11(18-6-2-3-7-18)9-17-10-12-4-5-13(15)14(16)8-12/h4-5,8,11,17H,2-3,6-7,9-10H2,1H3
InChIKeyITTGSZCMBLEUFS-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.54
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine

N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 113222770) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID113222770
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1ccc(F)c(F)c1)N1CCCC1
InChIInChI=1S/C14H20F2N2/c1-11(18-6-2-3-7-18)9-17-10-12-4-5-13(15)14(16)8-12/h4-5,8,11,17H,2-3,6-7,9-10H2,1H3
InChIKeyITTGSZCMBLEUFS-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 63051224
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol
CID 79831124
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899736
N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 114842146
N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 105401420
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 79033050
N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 107038742
N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 57374009
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 78943038
2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 103648407

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine (CID 113222770) is N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine is CC(CNCc1ccc(F)c(F)c1)N1CCCC1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is ITTGSZCMBLEUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-11(18-6-2-3-7-18)9-17-10-12-4-5-13(15)14(16)8-12/h4-5,8,11,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 254.32 g/mol, XLogP of 2.54, 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]-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 113222770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).