N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine

C17H22N2 — CID 116824741

IUPACN-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine
SMILESCNCC(c1ccc(C(C)C)cc1)c1cccnc1
InChIInChI=1S/C17H22N2/c1-13(2)14-6-8-15(9-7-14)17(12-18-3)16-5-4-10-19-11-16/h4-11,13,17-18H,12H2,1-3H3
InChIKeyUHQFFCWBTYVTEA-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.56
Rot. Bonds5

About N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine

N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine (PubChem CID 116824741) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine
PubChem CID116824741
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine
SMILESCNCC(c1ccc(C(C)C)cc1)c1cccnc1
InChIInChI=1S/C17H22N2/c1-13(2)14-6-8-15(9-7-14)17(12-18-3)16-5-4-10-19-11-16/h4-11,13,17-18H,12H2,1-3H3
InChIKeyUHQFFCWBTYVTEA-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-naphthalen-1-yl-2-pyridin-3-ylethanamine
CID 116824810
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
N,3-dimethyl-2-pyridin-3-ylhexan-1-amine
CID 107887227
2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 116824806
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 75493904
methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 177028413
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
CID 119875686
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 116824754
cumene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 158523249
4-(4-bromophenyl)-4-pyridin-3-ylbutan-2-amine
CID 70611529

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine?
The IUPAC name of N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine (CID 116824741) is N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine?
The canonical SMILES for N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine is CNCC(c1ccc(C(C)C)cc1)c1cccnc1.
What is the InChIKey of N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine?
The InChIKey is UHQFFCWBTYVTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(2)14-6-8-15(9-7-14)17(12-18-3)16-5-4-10-19-11-16/h4-11,13,17-18H,12H2,1-3H3.
What are the key properties of N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine?
N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 116824741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).