N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine

C16H24N2O — CID 103535835

IUPACN-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCOC1CCN(c2ccc(CNC3CC3)cc2C)C1
InChIInChI=1S/C16H24N2O/c1-12-9-13(10-17-14-4-5-14)3-6-16(12)18-8-7-15(11-18)19-2/h3,6,9,14-15,17H,4-5,7-8,10-11H2,1-2H3
InChIKeyBAQRWIVNTSUZAF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.47
Rot. Bonds5

About N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine

N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 103535835) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
PubChem CID103535835
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCOC1CCN(c2ccc(CNC3CC3)cc2C)C1
InChIInChI=1S/C16H24N2O/c1-12-9-13(10-17-14-4-5-14)3-6-16(12)18-8-7-15(11-18)19-2/h3,6,9,14-15,17H,4-5,7-8,10-11H2,1-2H3
InChIKeyBAQRWIVNTSUZAF-UHFFFAOYSA-N
XLogP2.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165022
N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62120152
N-[[4-(4,4-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62932457
N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 63552895
N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 103535831
N-[[3-bromo-4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 103539667
N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 63634476
N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 103539708
[4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol
CID 102933693
N-[[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 81143390
N-[[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62125093
N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 64597182

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine (CID 103535835) is N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine is COC1CCN(c2ccc(CNC3CC3)cc2C)C1.
What is the InChIKey of N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is BAQRWIVNTSUZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-9-13(10-17-14-4-5-14)3-6-16(12)18-8-7-15(11-18)19-2/h3,6,9,14-15,17H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine?
N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine has a molecular weight of 260.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 103535835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).