1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine

C19H26N2 — CID 105140459

IUPAC1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
SMILESCNC(CCc1cccnc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H26N2/c1-19(2,3)17-10-8-16(9-11-17)18(20-4)12-7-15-6-5-13-21-14-15/h5-6,8-11,13-14,18,20H,7,12H2,1-4H3
InChIKeyZDWFKWQHMVJUOR-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.27
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine

1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine (PubChem CID 105140459) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
PubChem CID105140459
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
SMILESCNC(CCc1cccnc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H26N2/c1-19(2,3)17-10-8-16(9-11-17)18(20-4)12-7-15-6-5-13-21-14-15/h5-6,8-11,13-14,18,20H,7,12H2,1-4H3
InChIKeyZDWFKWQHMVJUOR-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105076807
N-methyl-1-(3-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105090642
N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 105162051
N-ethyl-1-(4-propylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105144433
1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105099694
N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709971
1-(4-methylphenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105092564
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 106883832
2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile
CID 82091574
2-(4-tert-butylphenyl)-2-(pyridin-3-ylmethylamino)acetonitrile
CID 82019992
1-(4-tert-butylphenyl)-N-methylpentan-1-amine
CID 43484403
1-(2-fluoro-4-methoxyphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 103397402

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine (CID 105140459) is 1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine is CNC(CCc1cccnc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
The InChIKey is ZDWFKWQHMVJUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-19(2,3)17-10-8-16(9-11-17)18(20-4)12-7-15-6-5-13-21-14-15/h5-6,8-11,13-14,18,20H,7,12H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105140459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).