2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol

C19H25ClN2O3 — CID 22596042

IUPAC2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccnc(Oc2c(C)cc(Cl)cc2C)c1CCO
InChIInChI=1S/C19H25ClN2O3/c1-4-15(11-24)22-17-5-7-21-19(16(17)6-8-23)25-18-12(2)9-14(20)10-13(18)3/h5,7,9-10,15,23-24H,4,6,8,11H2,1-3H3,(H,21,22)
InChIKeyFWMUTLHLOAKPNF-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.86
Rot. Bonds8

About 2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol

2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol (PubChem CID 22596042) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol
PubChem CID22596042
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccnc(Oc2c(C)cc(Cl)cc2C)c1CCO
InChIInChI=1S/C19H25ClN2O3/c1-4-15(11-24)22-17-5-7-21-19(16(17)6-8-23)25-18-12(2)9-14(20)10-13(18)3/h5,7,9-10,15,23-24H,4,6,8,11H2,1-3H3,(H,21,22)
InChIKeyFWMUTLHLOAKPNF-UHFFFAOYSA-N
XLogP3.86
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol with MolForge

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Related Compounds

(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559
2-[[1-methyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-yl]amino]butan-1-ol
CID 18341125
methyl 5-(1-hydroxybutan-2-ylamino)-6-methyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 151783478
2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol
CID 114094467
(2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol
CID 130720526
N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297778
2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726838
2-(4-amino-5-chloro-2-methylanilino)butan-1-ol
CID 115554567
1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol
CID 115940525
2-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 83061011
(2S)-2-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 94586923

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol?
The IUPAC name of 2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol (CID 22596042) is 2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol is CCC(CO)Nc1ccnc(Oc2c(C)cc(Cl)cc2C)c1CCO.
What is the InChIKey of 2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol?
The InChIKey is FWMUTLHLOAKPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-4-15(11-24)22-17-5-7-21-19(16(17)6-8-23)25-18-12(2)9-14(20)10-13(18)3/h5,7,9-10,15,23-24H,4,6,8,11H2,1-3H3,(H,21,22).
What are the key properties of 2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol?
2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol has a molecular weight of 364.87 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-2,6-dimethylphenoxy)-3-(2-hydroxyethyl)-4-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 22596042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).