N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine

C16H21N3O — CID 60877179

IUPACN'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
SMILESCOc1cccc(N(CCCN)c2cccc(C)n2)c1
InChIInChI=1S/C16H21N3O/c1-13-6-3-9-16(18-13)19(11-5-10-17)14-7-4-8-15(12-14)20-2/h3-4,6-9,12H,5,10-11,17H2,1-2H3
InChIKeyIELGLYKWFSQYMV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.89
Rot. Bonds6

About N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine

N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine (PubChem CID 60877179) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
PubChem CID60877179
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
SMILESCOc1cccc(N(CCCN)c2cccc(C)n2)c1
InChIInChI=1S/C16H21N3O/c1-13-6-3-9-16(18-13)19(11-5-10-17)14-7-4-8-15(12-14)20-2/h3-4,6-9,12H,5,10-11,17H2,1-2H3
InChIKeyIELGLYKWFSQYMV-UHFFFAOYSA-N
XLogP2.89
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 61251850
N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262673
N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43319003
N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine
CID 63590194
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 104606037
6-[N-(3-aminopropyl)-3-methoxyanilino]-2H-1,2,4-triazine-3,5-dione
CID 60871405
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270073
N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine
CID 43319000
5-amino-4-[N-(3-aminopropyl)-3-methoxyanilino]-1H-pyrimidin-6-one
CID 136972523
N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine
CID 106503634
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine (CID 60877179) is N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine is COc1cccc(N(CCCN)c2cccc(C)n2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine?
The InChIKey is IELGLYKWFSQYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-6-3-9-16(18-13)19(11-5-10-17)14-7-4-8-15(12-14)20-2/h3-4,6-9,12H,5,10-11,17H2,1-2H3.
What are the key properties of N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine?
N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine has a molecular weight of 271.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 60877179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).