1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

C14H19F3N2 — CID 103626362

IUPAC1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCN1CCCC1CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2/c1-19-8-2-3-13(19)10-18-9-11-4-6-12(7-5-11)14(15,16)17/h4-7,13,18H,2-3,8-10H2,1H3
InChIKeyASZUAUDKQNLWEE-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.89
Rot. Bonds4

About 1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 103626362) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID103626362
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCN1CCCC1CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2/c1-19-8-2-3-13(19)10-18-9-11-4-6-12(7-5-11)14(15,16)17/h4-7,13,18H,2-3,8-10H2,1H3
InChIKeyASZUAUDKQNLWEE-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111420780
N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103748214
4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile
CID 124671707
N-[(3,4-dimethylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626307
2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 106023968
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115683653
1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
CID 115593273
N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine
CID 83960579
N-[(3-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593277
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103698755
2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 113227167
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 175854724

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (CID 103626362) is 1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is CN1CCCC1CNCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is ASZUAUDKQNLWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-19-8-2-3-13(19)10-18-9-11-4-6-12(7-5-11)14(15,16)17/h4-7,13,18H,2-3,8-10H2,1H3.
What are the key properties of 1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 272.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 103626362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).