1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine

C18H25F3N2O2 — CID 124690614

IUPAC1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
SMILESCOc1cc(CNC[C@@H]2CCN(C3CC3)C2)ccc1OCC(F)(F)F
InChIInChI=1S/C18H25F3N2O2/c1-24-17-8-13(2-5-16(17)25-12-18(19,20)21)9-22-10-14-6-7-23(11-14)15-3-4-15/h2,5,8,14-15,22H,3-4,6-7,9-12H2,1H3/t14-/m0/s1
InChIKeyJBRRVZIPUHNRBN-AWEZNQCLSA-N
MW358.40 g/mol
LogP3.21
Rot. Bonds8

About 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine

1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine (PubChem CID 124690614) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
PubChem CID124690614
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
SMILESCOc1cc(CNC[C@@H]2CCN(C3CC3)C2)ccc1OCC(F)(F)F
InChIInChI=1S/C18H25F3N2O2/c1-24-17-8-13(2-5-16(17)25-12-18(19,20)21)9-22-10-14-6-7-23(11-14)15-3-4-15/h2,5,8,14-15,22H,3-4,6-7,9-12H2,1H3/t14-/m0/s1
InChIKeyJBRRVZIPUHNRBN-AWEZNQCLSA-N
XLogP3.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine with MolForge

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 119126987
N-[(3,4-dimethoxyphenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 119127001
3-(methoxymethyl)-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111736030
1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 119124637
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855833
1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine
CID 119106660
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine
CID 56812587
3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119396765
1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 93302744
1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine
CID 119124665
1-cyclopropyl-3-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylguanidine
CID 110934043
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine (CID 124690614) is 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine is COc1cc(CNC[C@@H]2CCN(C3CC3)C2)ccc1OCC(F)(F)F.
What is the InChIKey of 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine?
The InChIKey is JBRRVZIPUHNRBN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-24-17-8-13(2-5-16(17)25-12-18(19,20)21)9-22-10-14-6-7-23(11-14)15-3-4-15/h2,5,8,14-15,22H,3-4,6-7,9-12H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine?
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine has a molecular weight of 358.40 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 124690614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).