N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine

C14H17N3O — CID 113371369

IUPACN-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine
SMILESCOc1cccnc1NC(CN)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-18-13-8-5-9-16-14(13)17-12(10-15)11-6-3-2-4-7-11/h2-9,12H,10,15H2,1H3,(H,16,17)
InChIKeyLWRZHOOLTFQRCA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.20
Rot. Bonds5

About N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine

N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine (PubChem CID 113371369) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine
PubChem CID113371369
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine
SMILESCOc1cccnc1NC(CN)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-18-13-8-5-9-16-14(13)17-12(10-15)11-6-3-2-4-7-11/h2-9,12H,10,15H2,1H3,(H,16,17)
InChIKeyLWRZHOOLTFQRCA-UHFFFAOYSA-N
XLogP2.20
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(1-phenylpropyl)pyridin-2-amine
CID 112568517
3-methoxy-2-N-(3-methoxy-2-pyridinyl)propane-1,2-diamine
CID 106181998
3-methoxy-N-(2-phenylpropyl)pyridin-2-amine
CID 113430232
4-[(2-amino-1-phenylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008394
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
CID 115355770
3-methoxy-N-pentan-2-ylpyridin-2-amine
CID 115923066
3-methoxy-N-(1-methoxybutan-2-yl)pyridin-2-amine
CID 115923094
3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pyridin-2-amine
CID 115923095
N-[1-(4-ethylphenyl)ethyl]-3-methoxypyridin-2-amine
CID 115923091
N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155329
N-but-3-yn-2-yl-3-methoxypyridin-2-amine
CID 114418045

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine (CID 113371369) is N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine is COc1cccnc1NC(CN)c1ccccc1.
What is the InChIKey of N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine?
The InChIKey is LWRZHOOLTFQRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-13-8-5-9-16-14(13)17-12(10-15)11-6-3-2-4-7-11/h2-9,12H,10,15H2,1H3,(H,16,17).
What are the key properties of N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine?
N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 113371369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).