[1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine

C21H27ClN2O2 — CID 120780515

IUPAC[1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cc(CN2CCC(C)(CN)C2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN2O2/c1-21(14-23)9-10-24(15-21)12-17-5-8-19(20(11-17)25-2)26-13-16-3-6-18(22)7-4-16/h3-8,11H,9-10,12-15,23H2,1-2H3
InChIKeyVUWUMQXEJIKHTN-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.10
Rot. Bonds7

About [1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine

[1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120780515) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is [1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120780515
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name[1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cc(CN2CCC(C)(CN)C2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN2O2/c1-21(14-23)9-10-24(15-21)12-17-5-8-19(20(11-17)25-2)26-13-16-3-6-18(22)7-4-16/h3-8,11H,9-10,12-15,23H2,1-2H3
InChIKeyVUWUMQXEJIKHTN-UHFFFAOYSA-N
XLogP4.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120780515) is [1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine is COc1cc(CN2CCC(C)(CN)C2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of [1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is VUWUMQXEJIKHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-21(14-23)9-10-24(15-21)12-17-5-8-19(20(11-17)25-2)26-13-16-3-6-18(22)7-4-16/h3-8,11H,9-10,12-15,23H2,1-2H3.
What are the key properties of [1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 374.91 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120780515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).