(1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol

C18H24N2O — CID 25115698

IUPAC(1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol
SMILESCCC(CCc1cccnc1)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-2-17(11-10-15-7-6-12-19-13-15)20-14-18(21)16-8-4-3-5-9-16/h3-9,12-13,17-18,20-21H,2,10-11,14H2,1H3/t17?,18-/m1/s1
InChIKeyYRZCYXGKMKSSTM-QRWMCTBCSA-N
MW284.40 g/mol
LogP3.12
Rot. Bonds8

About (1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol

(1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol (PubChem CID 25115698) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol
PubChem CID25115698
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol
SMILESCCC(CCc1cccnc1)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-2-17(11-10-15-7-6-12-19-13-15)20-14-18(21)16-8-4-3-5-9-16/h3-9,12-13,17-18,20-21H,2,10-11,14H2,1H3/t17?,18-/m1/s1
InChIKeyYRZCYXGKMKSSTM-QRWMCTBCSA-N
XLogP3.12
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-ol
CID 105117283
N-pentan-3-yl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60913079
N-methyl-6-phenyl-1-pyridin-3-ylhexan-3-amine
CID 105139816
N-ethyl-6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127205
2-(2-phenylethylamino)-1-pyridin-3-ylethanol
CID 20826867
N-ethyl-1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171233
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
N-ethyl-1-pyridin-3-yldecan-3-amine
CID 105125052
N-(1-phenylethyl)-5-pyridin-3-ylpentan-2-amine
CID 70358697
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol?
The IUPAC name of (1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol (CID 25115698) is (1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol?
The canonical SMILES for (1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol is CCC(CCc1cccnc1)NC[C@@H](O)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol?
The InChIKey is YRZCYXGKMKSSTM-QRWMCTBCSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-17(11-10-15-7-6-12-19-13-15)20-14-18(21)16-8-4-3-5-9-16/h3-9,12-13,17-18,20-21H,2,10-11,14H2,1H3/t17?,18-/m1/s1.
What are the key properties of (1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol?
(1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol has a molecular weight of 284.40 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-(1-pyridin-3-ylpentan-3-ylamino)ethanol is sourced from PubChem (CID 25115698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).