1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol

C20H27ClN2O2 — CID 166219934

IUPAC1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol
SMILESCC(C)OCCC(O)CNC(Cc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C20H27ClN2O2/c1-15(2)25-12-10-18(24)14-23-20(19-5-3-4-11-22-19)13-16-6-8-17(21)9-7-16/h3-9,11,15,18,20,23-24H,10,12-14H2,1-2H3
InChIKeyXHVJHINHBIBYJP-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.78
Rot. Bonds10

About 1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol

1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol (PubChem CID 166219934) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol
PubChem CID166219934
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol
SMILESCC(C)OCCC(O)CNC(Cc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C20H27ClN2O2/c1-15(2)25-12-10-18(24)14-23-20(19-5-3-4-11-22-19)13-16-6-8-17(21)9-7-16/h3-9,11,15,18,20,23-24H,10,12-14H2,1-2H3
InChIKeyXHVJHINHBIBYJP-UHFFFAOYSA-N
XLogP3.78
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol with MolForge

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Related Compounds

2-(4-chlorophenyl)-1-pyridin-2-ylethanol
CID 60798834
(1S)-2-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 129471522
1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81401996
1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol
CID 60797375
1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81406911
1-(4-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798401
2-(3,4-dichlorophenyl)-N-methyl-1-pyridin-2-ylethanamine
CID 62601667
(2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol
CID 103906509
1-(3-chlorophenyl)-4-propan-2-yloxybutan-2-ol
CID 115000273
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81407338
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
CID 95968872

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol?
The IUPAC name of 1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol (CID 166219934) is 1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol is CC(C)OCCC(O)CNC(Cc1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol?
The InChIKey is XHVJHINHBIBYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c1-15(2)25-12-10-18(24)14-23-20(19-5-3-4-11-22-19)13-16-6-8-17(21)9-7-16/h3-9,11,15,18,20,23-24H,10,12-14H2,1-2H3.
What are the key properties of 1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol?
1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol has a molecular weight of 362.90 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol is sourced from PubChem (CID 166219934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).