(2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine

C25H30N2O — CID 91938067

IUPAC(2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1ccc(-c2ccnc3ccccc23)cc1C1CC1
InChIInChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1
InChIKeyQZNNODQLLRSCHN-VWLOTQADSA-N
MW374.53 g/mol
LogP5.92
Rot. Bonds7

About (2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine

(2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine (PubChem CID 91938067) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is (2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
PubChem CID91938067
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name(2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1ccc(-c2ccnc3ccccc23)cc1C1CC1
InChIInChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1
InChIKeyQZNNODQLLRSCHN-VWLOTQADSA-N
XLogP5.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine (CID 91938067) is (2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine is CC(C)C[C@](C)(N)COc1ccc(-c2ccnc3ccccc23)cc1C1CC1.
What is the InChIKey of (2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
The InChIKey is QZNNODQLLRSCHN-VWLOTQADSA-N. The full InChI is InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1.
What are the key properties of (2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
(2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine has a molecular weight of 374.53 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-cyclopropyl-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 91938067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).