1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine

C17H22N2 — CID 62552074

IUPAC1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
SMILESCNC(Cc1cccnc1)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H22N2/c1-13-7-14(2)9-16(8-13)11-17(18-3)10-15-5-4-6-19-12-15/h4-9,12,17-18H,10-11H2,1-3H3
InChIKeyMZIITRFNPFQVMR-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.07
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine

1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 62552074) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
PubChem CID62552074
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
SMILESCNC(Cc1cccnc1)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H22N2/c1-13-7-14(2)9-16(8-13)11-17(18-3)10-15-5-4-6-19-12-15/h4-9,12,17-18H,10-11H2,1-3H3
InChIKeyMZIITRFNPFQVMR-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62550846
N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 79180331
4-methoxy-N-methyl-1-pyridin-3-ylbutan-2-amine
CID 115601894
1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 114855478
N-methyl-5-phenyl-1-pyridin-3-ylpentan-2-amine
CID 62604554
N,4-dimethyl-1-pyridin-3-ylheptan-2-amine
CID 62604003
N-methyl-1-pyridin-3-yldodecan-2-amine
CID 63416247
N-methyl-1-(5-methyl-3-pyridinyl)-2-pyridin-3-ylethanamine
CID 113297193
N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
CID 62604364
3-methyl-5-(pyridin-3-ylmethyl)aniline
CID 107579669
1-cyclohexyl-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62603236

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine (CID 62552074) is 1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine is CNC(Cc1cccnc1)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is MZIITRFNPFQVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-7-14(2)9-16(8-13)11-17(18-3)10-15-5-4-6-19-12-15/h4-9,12,17-18H,10-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine?
1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 62552074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).