3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine

C18H24N2 — CID 107876315

IUPAC3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine
SMILESCC(C)C(CN[C@H](C)c1ccncc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-14(2)18(17-7-5-4-6-8-17)13-20-15(3)16-9-11-19-12-10-16/h4-12,14-15,18,20H,13H2,1-3H3/t15-,18?/m1/s1
InChIKeyTUEDMRWGIYJYAW-NNJIEVJOSA-N
MW268.40 g/mol
LogP4.17
Rot. Bonds6

About 3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine

3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine (PubChem CID 107876315) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine
PubChem CID107876315
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine
SMILESCC(C)C(CN[C@H](C)c1ccncc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-14(2)18(17-7-5-4-6-8-17)13-20-15(3)16-9-11-19-12-10-16/h4-12,14-15,18,20H,13H2,1-3H3/t15-,18?/m1/s1
InChIKeyTUEDMRWGIYJYAW-NNJIEVJOSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile
CID 64536611
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 107876015
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107875843
N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876308
3-methyl-2-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butan-1-amine
CID 106281802
2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 43202297
2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 43685407
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793
(1R)-N-(2-phenylsulfanylethyl)-1-pyridin-4-ylethanamine
CID 81409534

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine?
The IUPAC name of 3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine (CID 107876315) is 3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine?
The canonical SMILES for 3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine is CC(C)C(CN[C@H](C)c1ccncc1)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine?
The InChIKey is TUEDMRWGIYJYAW-NNJIEVJOSA-N. The full InChI is InChI=1S/C18H24N2/c1-14(2)18(17-7-5-4-6-8-17)13-20-15(3)16-9-11-19-12-10-16/h4-12,14-15,18,20H,13H2,1-3H3/t15-,18?/m1/s1.
What are the key properties of 3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine?
3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine is sourced from PubChem (CID 107876315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).