3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine

C17H23N3O — CID 43678639

IUPAC3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCOc1ccc(C)cc1C(C)Nc1cnccc1N(C)C
InChIInChI=1S/C17H23N3O/c1-12-6-7-17(21-5)14(10-12)13(2)19-15-11-18-9-8-16(15)20(3)4/h6-11,13,19H,1-5H3
InChIKeyRYDGWIKNRRYEPT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.64
Rot. Bonds5

About 3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 43678639) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID43678639
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCOc1ccc(C)cc1C(C)Nc1cnccc1N(C)C
InChIInChI=1S/C17H23N3O/c1-12-6-7-17(21-5)14(10-12)13(2)19-15-11-18-9-8-16(15)20(3)4/h6-11,13,19H,1-5H3
InChIKeyRYDGWIKNRRYEPT-UHFFFAOYSA-N
XLogP3.64
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine
CID 43190608
4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol
CID 43678633
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43616973
(1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405947
(1S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81404842
5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 63455888
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43438309
2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 61075545
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide
CID 115645589
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine
CID 103932597
1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine
CID 115889898

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine (CID 43678639) is 3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine is COc1ccc(C)cc1C(C)Nc1cnccc1N(C)C.
What is the InChIKey of 3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is RYDGWIKNRRYEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-6-7-17(21-5)14(10-12)13(2)19-15-11-18-9-8-16(15)20(3)4/h6-11,13,19H,1-5H3.
What are the key properties of 3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 43678639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).