4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline

C19H26N2 — CID 43760599

IUPAC4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2ccc(C(C)C)cc2)c(C)n1
InChIInChI=1S/C19H26N2/c1-12(2)17-7-9-18(10-8-17)21-16(6)19-13(3)11-14(4)20-15(19)5/h7-12,16,21H,1-6H3
InChIKeyAGPGDIUICBQPOB-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.30
Rot. Bonds4

About 4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline

4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline (PubChem CID 43760599) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline.

Molecular Properties

Compound Name4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
PubChem CID43760599
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2ccc(C(C)C)cc2)c(C)n1
InChIInChI=1S/C19H26N2/c1-12(2)17-7-9-18(10-8-17)21-16(6)19-13(3)11-14(4)20-15(19)5/h7-12,16,21H,1-6H3
InChIKeyAGPGDIUICBQPOB-UHFFFAOYSA-N
XLogP5.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile
CID 43786451
3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43765047
2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
CID 107679467
3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
CID 43771050
(1S)-1-(4-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 81348689
N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine
CID 43776909
2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43772215
3-ethoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 60935217
2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43763919
1-(3-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767416
1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767368
(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 81375605

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
The IUPAC name of 4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline (CID 43760599) is 4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline.
What is the SMILES notation for 4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
The canonical SMILES for 4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline is Cc1cc(C)c(C(C)Nc2ccc(C(C)C)cc2)c(C)n1.
What is the InChIKey of 4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
The InChIKey is AGPGDIUICBQPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-12(2)17-7-9-18(10-8-17)21-16(6)19-13(3)11-14(4)20-15(19)5/h7-12,16,21H,1-6H3.
What are the key properties of 4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline has a molecular weight of 282.43 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline is sourced from PubChem (CID 43760599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).