[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine

C15H24N2O3 — CID 103531243

IUPAC[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CN1CC(OC)C(OC)C1
InChIInChI=1S/C15H24N2O3/c1-18-13-5-4-11(7-16)6-12(13)8-17-9-14(19-2)15(10-17)20-3/h4-6,14-15H,7-10,16H2,1-3H3
InChIKeyBZOKKFFDNCRQQL-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.00
Rot. Bonds6

About [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine

[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine (PubChem CID 103531243) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine
PubChem CID103531243
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CN1CC(OC)C(OC)C1
InChIInChI=1S/C15H24N2O3/c1-18-13-5-4-11(7-16)6-12(13)8-17-9-14(19-2)15(10-17)20-3/h4-6,14-15H,7-10,16H2,1-3H3
InChIKeyBZOKKFFDNCRQQL-UHFFFAOYSA-N
XLogP1.00
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 115559132
[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 62017605
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 63611034
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol
CID 114678058
[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 62018729
[4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63610193
[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 114462556
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methoxyphenyl]methanamine
CID 102725578
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]ethanol
CID 114797239

Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine (CID 103531243) is [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1CN1CC(OC)C(OC)C1.
What is the InChIKey of [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine?
The InChIKey is BZOKKFFDNCRQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-18-13-5-4-11(7-16)6-12(13)8-17-9-14(19-2)15(10-17)20-3/h4-6,14-15H,7-10,16H2,1-3H3.
What are the key properties of [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine?
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine has a molecular weight of 280.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 103531243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).