1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine

C18H24N2 — CID 81406241

IUPAC1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
SMILESCC(C)c1ccc(C(C)N[C@H](C)c2ccncc2)cc1
InChIInChI=1S/C18H24N2/c1-13(2)16-5-7-17(8-6-16)14(3)20-15(4)18-9-11-19-12-10-18/h5-15,20H,1-4H3/t14?,15-/m1/s1
InChIKeyXYQWZEMODCVKMU-YSSOQSIOSA-N
MW268.40 g/mol
LogP4.62
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine

1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine (PubChem CID 81406241) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
PubChem CID81406241
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
SMILESCC(C)c1ccc(C(C)N[C@H](C)c2ccncc2)cc1
InChIInChI=1S/C18H24N2/c1-13(2)16-5-7-17(8-6-16)14(3)20-15(4)18-9-11-19-12-10-18/h5-15,20H,1-4H3/t14?,15-/m1/s1
InChIKeyXYQWZEMODCVKMU-YSSOQSIOSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43202288
5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol
CID 107706948
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 102869888
1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398579
tris(4-propan-2-ylpyridine);trichlorochromium
CID 19688799
[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea
CID 43750014
(2S)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propan-1-ol
CID 93082825
(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405518
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine?
The IUPAC name of 1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine (CID 81406241) is 1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine is CC(C)c1ccc(C(C)N[C@H](C)c2ccncc2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine?
The InChIKey is XYQWZEMODCVKMU-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H24N2/c1-13(2)16-5-7-17(8-6-16)14(3)20-15(4)18-9-11-19-12-10-18/h5-15,20H,1-4H3/t14?,15-/m1/s1.
What are the key properties of 1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine?
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine has a molecular weight of 268.40 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine is sourced from PubChem (CID 81406241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).