[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine

C13H18F2N2 — CID 115524682

IUPAC[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1ccc(C(F)F)cc1
InChIInChI=1S/C13H18F2N2/c14-13(15)11-5-3-10(4-6-11)9-17-7-1-2-12(17)8-16/h3-6,12-13H,1-2,7-9,16H2
InChIKeyQNRWEELZFISPSJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.55
Rot. Bonds4

About [1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine

[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine (PubChem CID 115524682) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is [1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine
PubChem CID115524682
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1ccc(C(F)F)cc1
InChIInChI=1S/C13H18F2N2/c14-13(15)11-5-3-10(4-6-11)9-17-7-1-2-12(17)8-16/h3-6,12-13H,1-2,7-9,16H2
InChIKeyQNRWEELZFISPSJ-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440543
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311652
[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927174
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836624
[1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115312882
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581090

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine (CID 115524682) is [1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine is NCC1CCCN1Cc1ccc(C(F)F)cc1.
What is the InChIKey of [1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is QNRWEELZFISPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c14-13(15)11-5-3-10(4-6-11)9-17-7-1-2-12(17)8-16/h3-6,12-13H,1-2,7-9,16H2.
What are the key properties of [1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine?
[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 240.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115524682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).