N'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine

C15H19N3O — CID 129055748

IUPACN'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cc(OCc2ccccc2)cnc1NCCN
InChIInChI=1S/C15H19N3O/c1-12-9-14(10-18-15(12)17-8-7-16)19-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11,16H2,1H3,(H,17,18)
InChIKeyQJDYLBWFVMQHMY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.34
Rot. Bonds6

About N'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine

N'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine (PubChem CID 129055748) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine
PubChem CID129055748
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cc(OCc2ccccc2)cnc1NCCN
InChIInChI=1S/C15H19N3O/c1-12-9-14(10-18-15(12)17-8-7-16)19-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11,16H2,1H3,(H,17,18)
InChIKeyQJDYLBWFVMQHMY-UHFFFAOYSA-N
XLogP2.34
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3-methyl-5-phenylmethoxypyridine
CID 171367579
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
CID 6410802
3-chloro-2-methyl-5-phenylmethoxypyridine
CID 67611027
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
N-ethyl-5-phenylmethoxypyrimidin-2-amine
CID 130337236
5-phenylmethoxypyrimidin-2-amine
CID 20748397
2-phenyl-5-phenylmethoxypyrimidine
CID 151774114
5-phenylmethoxypyridin-3-amine
CID 22989735
N'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine
CID 117224527
3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 62478044
ethyl 5-phenylmethoxypyridazine-3-carboxylate
CID 137332806

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine (CID 129055748) is N'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine is Cc1cc(OCc2ccccc2)cnc1NCCN.
What is the InChIKey of N'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is QJDYLBWFVMQHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-9-14(10-18-15(12)17-8-7-16)19-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11,16H2,1H3,(H,17,18).
What are the key properties of N'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine?
N'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 129055748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).