1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine

C18H28ClN3O2 — CID 120909283

IUPAC1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1N
InChIInChI=1S/C18H28ClN3O2/c1-14-11-22(13-17(14)20)12-15-2-3-18(16(19)10-15)24-9-6-21-4-7-23-8-5-21/h2-3,10,14,17H,4-9,11-13,20H2,1H3
InChIKeyWPKNHDRHYYGEIR-UHFFFAOYSA-N
MW353.89 g/mol
LogP1.83
Rot. Bonds6

About 1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine

1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine (PubChem CID 120909283) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
PubChem CID120909283
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1N
InChIInChI=1S/C18H28ClN3O2/c1-14-11-22(13-17(14)20)12-15-2-3-18(16(19)10-15)24-9-6-21-4-7-23-8-5-21/h2-3,10,14,17H,4-9,11-13,20H2,1H3
InChIKeyWPKNHDRHYYGEIR-UHFFFAOYSA-N
XLogP1.83
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine (CID 120909283) is 1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1N.
What is the InChIKey of 1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is WPKNHDRHYYGEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O2/c1-14-11-22(13-17(14)20)12-15-2-3-18(16(19)10-15)24-9-6-21-4-7-23-8-5-21/h2-3,10,14,17H,4-9,11-13,20H2,1H3.
What are the key properties of 1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine?
1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 353.89 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 120909283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).