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

C18H29N3O — CID 120897781

IUPACN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine
SMILESCN(Cc1ccccc1N1CCOCC1)CC1(C)CCNC1
InChIInChI=1S/C18H29N3O/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
InChIKeyDWIMGUBKJWNNED-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.95
Rot. Bonds5

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

N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine (PubChem CID 120897781) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine
PubChem CID120897781
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine
SMILESCN(Cc1ccccc1N1CCOCC1)CC1(C)CCNC1
InChIInChI=1S/C18H29N3O/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
InChIKeyDWIMGUBKJWNNED-UHFFFAOYSA-N
XLogP1.95
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.95
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?
The IUPAC name of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine (CID 120897781) is N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine.
What is the SMILES notation for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine?
The canonical SMILES for N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine is CN(Cc1ccccc1N1CCOCC1)CC1(C)CCNC1.
What is the InChIKey of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine?
The InChIKey is DWIMGUBKJWNNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/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.
What are the key properties of N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine?
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine has a molecular weight of 303.45 g/mol, XLogP of 1.95, 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 is sourced from PubChem (CID 120897781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).