N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine

C25H35N3O — CID 92626603

IUPACN-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine
SMILESCc1cc(N2CCCC2)c(C)cc1CN(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C25H35N3O/c1-20-17-25(27-10-6-7-11-27)21(2)16-23(20)19-26(3)18-22-8-4-5-9-24(22)28-12-14-29-15-13-28/h4-5,8-9,16-17H,6-7,10-15,18-19H2,1-3H3
InChIKeyLJRBNPBMFXXABV-UHFFFAOYSA-N
MW393.58 g/mol
LogP4.37
Rot. Bonds6

About N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine

N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine (PubChem CID 92626603) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine
PubChem CID92626603
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC NameN-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine
SMILESCc1cc(N2CCCC2)c(C)cc1CN(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C25H35N3O/c1-20-17-25(27-10-6-7-11-27)21(2)16-23(20)19-26(3)18-22-8-4-5-9-24(22)28-12-14-29-15-13-28/h4-5,8-9,16-17H,6-7,10-15,18-19H2,1-3H3
InChIKeyLJRBNPBMFXXABV-UHFFFAOYSA-N
XLogP4.37
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine?
The IUPAC name of N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine (CID 92626603) is N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine.
What is the SMILES notation for N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine?
The canonical SMILES for N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine is Cc1cc(N2CCCC2)c(C)cc1CN(C)Cc1ccccc1N1CCOCC1.
What is the InChIKey of N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine?
The InChIKey is LJRBNPBMFXXABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-20-17-25(27-10-6-7-11-27)21(2)16-23(20)19-26(3)18-22-8-4-5-9-24(22)28-12-14-29-15-13-28/h4-5,8-9,16-17H,6-7,10-15,18-19H2,1-3H3.
What are the key properties of N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine?
N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine has a molecular weight of 393.58 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine is sourced from PubChem (CID 92626603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).