N-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine

C22H24N2 — CID 160750901

IUPACN-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine
SMILESCC(Cc1ccccc1)c1ccc(C(C)Nc2ccccn2)cc1
InChIInChI=1S/C22H24N2/c1-17(16-19-8-4-3-5-9-19)20-11-13-21(14-12-20)18(2)24-22-10-6-7-15-23-22/h3-15,17-18H,16H2,1-2H3,(H,23,24)
InChIKeyRWUOLTMJNXYBHM-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.60
Rot. Bonds6

About N-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine

N-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine (PubChem CID 160750901) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine
PubChem CID160750901
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC NameN-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine
SMILESCC(Cc1ccccc1)c1ccc(C(C)Nc2ccccn2)cc1
InChIInChI=1S/C22H24N2/c1-17(16-19-8-4-3-5-9-19)20-11-13-21(14-12-20)18(2)24-22-10-6-7-15-23-22/h3-15,17-18H,16H2,1-2H3,(H,23,24)
InChIKeyRWUOLTMJNXYBHM-UHFFFAOYSA-N
XLogP5.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-(pyridin-2-ylamino)butan-2-ol
CID 133400189
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyridin-2-amine
CID 133327058
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
N-[1-(3-methylphenyl)ethyl]pyridin-2-amine
CID 115916909
1,4-bis(2-phenylpropyl)benzene
CID 19376086
N-[1-(3-bromophenyl)ethyl]pyridin-2-amine
CID 60969828
N-[1-(3-aminophenyl)ethyl]pyridin-2-amine
CID 60869070
1-(pyridin-2-ylamino)ethanol
CID 20521375
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
1-(1-phenylpropan-2-yl)-4-propylbenzene
CID 57021691
tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate
CID 132549421

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine?
The IUPAC name of N-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine (CID 160750901) is N-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine.
What is the SMILES notation for N-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine?
The canonical SMILES for N-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine is CC(Cc1ccccc1)c1ccc(C(C)Nc2ccccn2)cc1.
What is the InChIKey of N-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine?
The InChIKey is RWUOLTMJNXYBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-17(16-19-8-4-3-5-9-19)20-11-13-21(14-12-20)18(2)24-22-10-6-7-15-23-22/h3-15,17-18H,16H2,1-2H3,(H,23,24).
What are the key properties of N-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine?
N-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine has a molecular weight of 316.45 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine is sourced from PubChem (CID 160750901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).