5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol

C15H24ClNO3 — CID 106160245

IUPAC5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNCC(O)COc1ccccc1Cl
InChIInChI=1S/C15H24ClNO3/c1-12(10-18)5-4-8-17-9-13(19)11-20-15-7-3-2-6-14(15)16/h2-3,6-7,12-13,17-19H,4-5,8-11H2,1H3
InChIKeyWCPQDDKIIAQYPO-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.08
Rot. Bonds10

About 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol

5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol (PubChem CID 106160245) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
PubChem CID106160245
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNCC(O)COc1ccccc1Cl
InChIInChI=1S/C15H24ClNO3/c1-12(10-18)5-4-8-17-9-13(19)11-20-15-7-3-2-6-14(15)16/h2-3,6-7,12-13,17-19H,4-5,8-11H2,1H3
InChIKeyWCPQDDKIIAQYPO-UHFFFAOYSA-N
XLogP2.08
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol
CID 106160109
1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol
CID 113465593
1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60745192
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83121783
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106147203
3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861871
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
CID 2141740
3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62454588
1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61462609
5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol
CID 106160001
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517973

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol (CID 106160245) is 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol is CC(CO)CCCNCC(O)COc1ccccc1Cl.
What is the InChIKey of 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol?
The InChIKey is WCPQDDKIIAQYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-12(10-18)5-4-8-17-9-13(19)11-20-15-7-3-2-6-14(15)16/h2-3,6-7,12-13,17-19H,4-5,8-11H2,1H3.
What are the key properties of 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol?
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol has a molecular weight of 301.81 g/mol, XLogP of 2.08, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106160245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).