1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine

C15H21F3N2O — CID 43081448

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCCN1CCCC1CNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-2-20-9-3-4-13(20)11-19-10-12-5-7-14(8-6-12)21-15(16,17)18/h5-8,13,19H,2-4,9-11H2,1H3
InChIKeyBWYUNZBTLHEOJT-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.16
Rot. Bonds6

About 1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine

1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine (PubChem CID 43081448) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
PubChem CID43081448
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCCN1CCCC1CNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-2-20-9-3-4-13(20)11-19-10-12-5-7-14(8-6-12)21-15(16,17)18/h5-8,13,19H,2-4,9-11H2,1H3
InChIKeyBWYUNZBTLHEOJT-UHFFFAOYSA-N
XLogP3.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 834575
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2098901
2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 43221033
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
N-[4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenyl]acetamide
CID 51637876
N-[(3,4-diethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628283
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 51627904
1-(1-ethylpyrrolidin-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408267
1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453620

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine (CID 43081448) is 1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine is CCN1CCCC1CNCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is BWYUNZBTLHEOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-2-20-9-3-4-13(20)11-19-10-12-5-7-14(8-6-12)21-15(16,17)18/h5-8,13,19H,2-4,9-11H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 302.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 43081448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).