1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol

C15H18ClNO2 — CID 43804642

IUPAC1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H18ClNO2/c1-2-17-9-11(18)10-19-15-8-7-14(16)12-5-3-4-6-13(12)15/h3-8,11,17-18H,2,9-10H2,1H3
InChIKeyUGMYBFIWBDKANZ-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.84
Rot. Bonds6

About 1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol

1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol (PubChem CID 43804642) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol
PubChem CID43804642
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H18ClNO2/c1-2-17-9-11(18)10-19-15-8-7-14(16)12-5-3-4-6-13(12)15/h3-8,11,17-18H,2,9-10H2,1H3
InChIKeyUGMYBFIWBDKANZ-UHFFFAOYSA-N
XLogP2.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
CID 6458435
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254
1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol
CID 116525049
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol
CID 63038505
3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
CID 155698850
(2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol
CID 129395847
3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62454588
1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 90672310
1-(2-chloro-4-methylphenoxy)-3-(propylamino)propan-2-ol
CID 62671258
1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43343245

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol (CID 43804642) is 1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol is CCNCC(O)COc1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol?
The InChIKey is UGMYBFIWBDKANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-2-17-9-11(18)10-19-15-8-7-14(16)12-5-3-4-6-13(12)15/h3-8,11,17-18H,2,9-10H2,1H3.
What are the key properties of 1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol?
1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol has a molecular weight of 279.77 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 43804642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).