1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine

C16H20N2 — CID 4723379

IUPAC1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
SMILESCC(C)c1ccc(CNCc2ccncc2)cc1
InChIInChI=1S/C16H20N2/c1-13(2)16-5-3-14(4-6-16)11-18-12-15-7-9-17-10-8-15/h3-10,13,18H,11-12H2,1-2H3
InChIKeyQWRFQUFONLSSOU-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.49
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine

1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 4723379) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
PubChem CID4723379
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
SMILESCC(C)c1ccc(CNCc2ccncc2)cc1
InChIInChI=1S/C16H20N2/c1-13(2)16-5-3-14(4-6-16)11-18-12-15-7-9-17-10-8-15/h3-10,13,18H,11-12H2,1-2H3
InChIKeyQWRFQUFONLSSOU-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63882717
1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 834417
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 60976741
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66134874

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine (CID 4723379) is 1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine is CC(C)c1ccc(CNCc2ccncc2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is QWRFQUFONLSSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13(2)16-5-3-14(4-6-16)11-18-12-15-7-9-17-10-8-15/h3-10,13,18H,11-12H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine?
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 240.35 g/mol, XLogP of 3.49, 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-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 4723379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).