N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride

C18H30ClN3O — CID 120897780

IUPACN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride
SMILESCN(Cc1ccccc1N1CCOCC1)CC1(C)CCNC1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-18(7-8-19-14-18)15-20(2)13-16-5-3-4-6-17(16)21-9-11-22-12-10-21;/h3-6,19H,7-15H2,1-2H3;1H
InChIKeyQZMHLCHJEAEKIE-UHFFFAOYSA-N
MW339.91 g/mol
LogP2.38
Rot. Bonds5

About N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride

N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride (PubChem CID 120897780) has the molecular formula C18H30ClN3O and a molecular weight of 339.91 g/mol. Its IUPAC name is N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride
PubChem CID120897780
Molecular FormulaC18H30ClN3O
Molecular Weight339.91 g/mol
Exact Mass339.21
IUPAC NameN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride
SMILESCN(Cc1ccccc1N1CCOCC1)CC1(C)CCNC1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-18(7-8-19-14-18)15-20(2)13-16-5-3-4-6-17(16)21-9-11-22-12-10-21;/h3-6,19H,7-15H2,1-2H3;1H
InChIKeyQZMHLCHJEAEKIE-UHFFFAOYSA-N
XLogP2.38
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride?
The IUPAC name of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride (CID 120897780) is N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride is CN(Cc1ccccc1N1CCOCC1)CC1(C)CCNC1.Cl.
What is the InChIKey of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride?
The InChIKey is QZMHLCHJEAEKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.ClH/c1-18(7-8-19-14-18)15-20(2)13-16-5-3-4-6-17(16)21-9-11-22-12-10-21;/h3-6,19H,7-15H2,1-2H3;1H.
What are the key properties of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride?
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride has a molecular weight of 339.91 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 120897780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).