N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine

C19H25N3O2 — CID 47030593

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2ccnc(N3CCCC3)c2)c(OC)c1
InChIInChI=1S/C19H25N3O2/c1-23-17-6-5-16(18(12-17)24-2)14-20-13-15-7-8-21-19(11-15)22-9-3-4-10-22/h5-8,11-12,20H,3-4,9-10,13-14H2,1-2H3
InChIKeyMDEFKWLZEYSOAC-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.99
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine

N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine (PubChem CID 47030593) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine
PubChem CID47030593
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2ccnc(N3CCCC3)c2)c(OC)c1
InChIInChI=1S/C19H25N3O2/c1-23-17-6-5-16(18(12-17)24-2)14-20-13-15-7-8-21-19(11-15)22-9-3-4-10-22/h5-8,11-12,20H,3-4,9-10,13-14H2,1-2H3
InChIKeyMDEFKWLZEYSOAC-UHFFFAOYSA-N
XLogP2.99
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol
CID 163366722
4-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63880762
N-[(2-methoxy-6-methylphenyl)methyl]-1-(2-piperidin-1-yl-4-pyridinyl)methanamine
CID 163366731
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 47030468
1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine
CID 163367035
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanamine
CID 119125453
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-4-pyridinyl)methanamine
CID 38048783
1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2,3-diethoxyphenyl)methyl]methanamine
CID 163367052
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
1-(3,4-dimethoxyphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]methanamine
CID 38048685
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine (CID 47030593) is N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine is COc1ccc(CNCc2ccnc(N3CCCC3)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine?
The InChIKey is MDEFKWLZEYSOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-23-17-6-5-16(18(12-17)24-2)14-20-13-15-7-8-21-19(11-15)22-9-3-4-10-22/h5-8,11-12,20H,3-4,9-10,13-14H2,1-2H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine?
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine has a molecular weight of 327.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine is sourced from PubChem (CID 47030593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).