N-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine

C20H28N2O2 — CID 112800004

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCCCOc1ccc(CN(CCC)Cc2ccncc2)cc1OC
InChIInChI=1S/C20H28N2O2/c1-4-12-22(15-17-8-10-21-11-9-17)16-18-6-7-19(24-13-5-2)20(14-18)23-3/h6-11,14H,4-5,12-13,15-16H2,1-3H3
InChIKeyPTTSGCFQFCNMSX-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.29
Rot. Bonds10

About N-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine

N-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine (PubChem CID 112800004) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
PubChem CID112800004
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCCCOc1ccc(CN(CCC)Cc2ccncc2)cc1OC
InChIInChI=1S/C20H28N2O2/c1-4-12-22(15-17-8-10-21-11-9-17)16-18-6-7-19(24-13-5-2)20(14-18)23-3/h6-11,14H,4-5,12-13,15-16H2,1-3H3
InChIKeyPTTSGCFQFCNMSX-UHFFFAOYSA-N
XLogP4.29
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromoethyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 80680489
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine
CID 60892245
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide
CID 119268690
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine
CID 71207187
4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile
CID 56721825
(3-methoxy-4-propoxyphenyl)methyl thiocyanate
CID 142224175
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine (CID 112800004) is N-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine is CCCOc1ccc(CN(CCC)Cc2ccncc2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The InChIKey is PTTSGCFQFCNMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-4-12-22(15-17-8-10-21-11-9-17)16-18-6-7-19(24-13-5-2)20(14-18)23-3/h6-11,14H,4-5,12-13,15-16H2,1-3H3.
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
N-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine has a molecular weight of 328.46 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 112800004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).