N-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine

C21H32N2O2 — CID 142882190

IUPACN-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CC1=CC(c2cc(OC)c(C)c(OC)c2)NC=C1
InChIInChI=1S/C21H32N2O2/c1-6-10-23(11-7-2)15-17-8-9-22-19(12-17)18-13-20(24-4)16(3)21(14-18)25-5/h8-9,12-14,19,22H,6-7,10-11,15H2,1-5H3
InChIKeySSNVAOJWKKLSQD-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.22
Rot. Bonds9

About N-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine

N-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine (PubChem CID 142882190) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine
PubChem CID142882190
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CC1=CC(c2cc(OC)c(C)c(OC)c2)NC=C1
InChIInChI=1S/C21H32N2O2/c1-6-10-23(11-7-2)15-17-8-9-22-19(12-17)18-13-20(24-4)16(3)21(14-18)25-5/h8-9,12-14,19,22H,6-7,10-11,15H2,1-5H3
InChIKeySSNVAOJWKKLSQD-UHFFFAOYSA-N
XLogP4.22
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine (CID 142882190) is N-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine is CCCN(CCC)CC1=CC(c2cc(OC)c(C)c(OC)c2)NC=C1.
What is the InChIKey of N-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine?
The InChIKey is SSNVAOJWKKLSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-6-10-23(11-7-2)15-17-8-9-22-19(12-17)18-13-20(24-4)16(3)21(14-18)25-5/h8-9,12-14,19,22H,6-7,10-11,15H2,1-5H3.
What are the key properties of N-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine?
N-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine has a molecular weight of 344.50 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethoxy-4-methylphenyl)-1,2-dihydropyridin-4-yl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 142882190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).