1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine

C17H26N2O — CID 60857089

IUPAC1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCOc1ccc(C(NCC2CCN(C)C2)C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-19-10-9-13(12-19)11-18-17(14-3-4-14)15-5-7-16(20-2)8-6-15/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3
InChIKeyIPIUEUSBYXQPCY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.69
Rot. Bonds6

About 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine

1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine (PubChem CID 60857089) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
PubChem CID60857089
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCOc1ccc(C(NCC2CCN(C)C2)C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-19-10-9-13(12-19)11-18-17(14-3-4-14)15-5-7-16(20-2)8-6-15/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3
InChIKeyIPIUEUSBYXQPCY-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768001
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
1-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 60856973
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 60855495
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443595
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 56802966
N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 60894909
1-[3-(4-methoxyphenyl)butyl]-2-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111641494

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine (CID 60857089) is 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine is COc1ccc(C(NCC2CCN(C)C2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine?
The InChIKey is IPIUEUSBYXQPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19-10-9-13(12-19)11-18-17(14-3-4-14)15-5-7-16(20-2)8-6-15/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine?
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine is sourced from PubChem (CID 60857089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).