1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine

C17H26N2O2 — CID 60761267

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine
SMILESCOc1cccc(CNCC2CCN(C3CC3)C2)c1OC
InChIInChI=1S/C17H26N2O2/c1-20-16-5-3-4-14(17(16)21-2)11-18-10-13-8-9-19(12-13)15-6-7-15/h3-5,13,15,18H,6-12H2,1-2H3
InChIKeyAVVNUVHOQNFDEP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.28
Rot. Bonds7

About 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine

1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine (PubChem CID 60761267) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine
PubChem CID60761267
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine
SMILESCOc1cccc(CNCC2CCN(C3CC3)C2)c1OC
InChIInChI=1S/C17H26N2O2/c1-20-16-5-3-4-14(17(16)21-2)11-18-10-13-8-9-19(12-13)15-6-7-15/h3-5,13,15,18H,6-12H2,1-2H3
InChIKeyAVVNUVHOQNFDEP-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 93302744
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine
CID 62350684
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine
CID 54881039
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931890
2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927106
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111338849
1-(1-ethylpiperidin-4-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 104791714
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 102615523
1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80648402
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
CID 60975626
N-[(2,3-dimethoxyphenyl)methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111735834
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine
CID 56812587

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine (CID 60761267) is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine is COc1cccc(CNCC2CCN(C3CC3)C2)c1OC.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine?
The InChIKey is AVVNUVHOQNFDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-16-5-3-4-14(17(16)21-2)11-18-10-13-8-9-19(12-13)15-6-7-15/h3-5,13,15,18H,6-12H2,1-2H3.
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine?
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine has a molecular weight of 290.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 60761267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).