N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine

C17H23N3O — CID 114937122

IUPACN-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)c2ccc(C)cc2C)cn1
InChIInChI=1S/C17H23N3O/c1-12-5-7-15(13(2)9-12)20(3)16(10-18)14-6-8-17(21-4)19-11-14/h5-9,11,16H,10,18H2,1-4H3
InChIKeyUUAVQEQVWWFCSD-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.84
Rot. Bonds5

About N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine

N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine (PubChem CID 114937122) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine
PubChem CID114937122
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)c2ccc(C)cc2C)cn1
InChIInChI=1S/C17H23N3O/c1-12-5-7-15(13(2)9-12)20(3)16(10-18)14-6-8-17(21-4)19-11-14/h5-9,11,16H,10,18H2,1-4H3
InChIKeyUUAVQEQVWWFCSD-UHFFFAOYSA-N
XLogP2.84
TPSA51.38 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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine
CID 62003894
1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 114937039
N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571837
1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 114937012
N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937000
1-(6-methoxy-3-pyridinyl)-N,N-dimethylpropan-1-amine
CID 20622434
N-(2-bromo-5-methylphenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937262
N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937078
2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol
CID 114938079
1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 114937259
1-(3-bromothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 115380402
N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 62003718

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine (CID 114937122) is N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine is COc1ccc(C(CN)N(C)c2ccc(C)cc2C)cn1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine?
The InChIKey is UUAVQEQVWWFCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-5-7-15(13(2)9-12)20(3)16(10-18)14-6-8-17(21-4)19-11-14/h5-9,11,16H,10,18H2,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine?
N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 114937122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).