N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

C15H19N3O — CID 28771920

IUPACN'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCOc1ccc(N(CCN)Cc2cccnc2)cc1
InChIInChI=1S/C15H19N3O/c1-19-15-6-4-14(5-7-15)18(10-8-16)12-13-3-2-9-17-11-13/h2-7,9,11H,8,10,12,16H2,1H3
InChIKeyZBVYUBHNXZRUGP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.06
Rot. Bonds6

About N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 28771920) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID28771920
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCOc1ccc(N(CCN)Cc2cccnc2)cc1
InChIInChI=1S/C15H19N3O/c1-19-15-6-4-14(5-7-15)18(10-8-16)12-13-3-2-9-17-11-13/h2-7,9,11H,8,10,12,16H2,1H3
InChIKeyZBVYUBHNXZRUGP-UHFFFAOYSA-N
XLogP2.06
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28772199
N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771525
phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110360643
N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698200
[4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol
CID 170025838
N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110360592
N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 61348602
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
N-(4-methoxyphenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 110360620
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360679

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 28771920) is N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is COc1ccc(N(CCN)Cc2cccnc2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is ZBVYUBHNXZRUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-15-6-4-14(5-7-15)18(10-8-16)12-13-3-2-9-17-11-13/h2-7,9,11H,8,10,12,16H2,1H3.
What are the key properties of N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 28771920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).