N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine

C19H22F2N2 — CID 139506324

IUPACN-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine
SMILESFC(F)c1cccc(-c2ccc(CNCC3CCCN3)cc2)c1
InChIInChI=1S/C19H22F2N2/c20-19(21)17-4-1-3-16(11-17)15-8-6-14(7-9-15)12-22-13-18-5-2-10-23-18/h1,3-4,6-9,11,18-19,22-23H,2,5,10,12-13H2
InChIKeyHAGPORXQQXHXLO-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.13
Rot. Bonds6

About N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine

N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine (PubChem CID 139506324) has the molecular formula C19H22F2N2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine
PubChem CID139506324
Molecular FormulaC19H22F2N2
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine
SMILESFC(F)c1cccc(-c2ccc(CNCC3CCCN3)cc2)c1
InChIInChI=1S/C19H22F2N2/c20-19(21)17-4-1-3-16(11-17)15-8-6-14(7-9-15)12-22-13-18-5-2-10-23-18/h1,3-4,6-9,11,18-19,22-23H,2,5,10,12-13H2
InChIKeyHAGPORXQQXHXLO-UHFFFAOYSA-N
XLogP4.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86319081
[3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol
CID 107229692
N-[(4-propylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208236
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329577
N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208247
2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636659
(2R)-2-[bis(3-phenylphenyl)methyl]pyrrolidine
CID 59628779
(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924
5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one
CID 115524016
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208280

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine (CID 139506324) is N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine is FC(F)c1cccc(-c2ccc(CNCC3CCCN3)cc2)c1.
What is the InChIKey of N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine?
The InChIKey is HAGPORXQQXHXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2/c20-19(21)17-4-1-3-16(11-17)15-8-6-14(7-9-15)12-22-13-18-5-2-10-23-18/h1,3-4,6-9,11,18-19,22-23H,2,5,10,12-13H2.
What are the key properties of N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine?
N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine has a molecular weight of 316.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 139506324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).