N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine

C16H24N2O — CID 103539708

IUPACN-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCOC1CCN(Cc2cccc(CNC3CC3)c2)C1
InChIInChI=1S/C16H24N2O/c1-19-16-7-8-18(12-16)11-14-4-2-3-13(9-14)10-17-15-5-6-15/h2-4,9,15-17H,5-8,10-12H2,1H3
InChIKeyJSOOYXYREFILML-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.16
Rot. Bonds6

About N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine

N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 103539708) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
PubChem CID103539708
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCOC1CCN(Cc2cccc(CNC3CC3)c2)C1
InChIInChI=1S/C16H24N2O/c1-19-16-7-8-18(12-16)11-14-4-2-3-13(9-14)10-17-15-5-6-15/h2-4,9,15-17H,5-8,10-12H2,1H3
InChIKeyJSOOYXYREFILML-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-bromo-4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 103539667
(3S)-1-[(3-bromophenyl)methyl]-3-methoxypyrrolidine
CID 172647705
1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62420766
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62420771
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
[3-[(3-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 102956590
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423584
N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62412416
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-methoxypyrrolidine
CID 74239025
N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 103535835
N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine
CID 102968242

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine (CID 103539708) is N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine is COC1CCN(Cc2cccc(CNC3CC3)c2)C1.
What is the InChIKey of N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is JSOOYXYREFILML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-16-7-8-18(12-16)11-14-4-2-3-13(9-14)10-17-15-5-6-15/h2-4,9,15-17H,5-8,10-12H2,1H3.
What are the key properties of N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 260.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 103539708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).