1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine

C17H26N2O2 — CID 93302744

IUPAC1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNC[C@H]2CCN(C3CC3)C2)c(OC)c1
InChIInChI=1S/C17H26N2O2/c1-20-16-6-3-14(17(9-16)21-2)11-18-10-13-7-8-19(12-13)15-4-5-15/h3,6,9,13,15,18H,4-5,7-8,10-12H2,1-2H3/t13-/m1/s1
InChIKeyIHVIGPUBNCNSGI-CYBMUJFWSA-N
MW290.41 g/mol
LogP2.28
Rot. Bonds7

About 1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine

1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine (PubChem CID 93302744) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine
PubChem CID93302744
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNC[C@H]2CCN(C3CC3)C2)c(OC)c1
InChIInChI=1S/C17H26N2O2/c1-20-16-6-3-14(17(9-16)21-2)11-18-10-13-7-8-19(12-13)15-4-5-15/h3,6,9,13,15,18H,4-5,7-8,10-12H2,1-2H3/t13-/m1/s1
InChIKeyIHVIGPUBNCNSGI-CYBMUJFWSA-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

N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902
N-[[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 63363167
N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208780
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine
CID 56812587
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 2989893
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 102615523
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 61118366
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 124690614
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
1-[(2,4-dimethoxyphenyl)methyl]-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 111878200
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111250385
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine (CID 93302744) is 1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine is COc1ccc(CNC[C@H]2CCN(C3CC3)C2)c(OC)c1.
What is the InChIKey of 1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine?
The InChIKey is IHVIGPUBNCNSGI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-16-6-3-14(17(9-16)21-2)11-18-10-13-7-8-19(12-13)15-4-5-15/h3,6,9,13,15,18H,4-5,7-8,10-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine?
1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-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-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 93302744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).