1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol

C14H22ClNO2 — CID 43247705

IUPAC1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCc1cc(OCC(O)CNC(C)C)ccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-4-11-7-13(5-6-14(11)15)18-9-12(17)8-16-10(2)3/h5-7,10,12,16-17H,4,8-9H2,1-3H3
InChIKeyOIPDPIHOLRSWPP-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.64
Rot. Bonds7

About 1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol

1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 43247705) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID43247705
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCCc1cc(OCC(O)CNC(C)C)ccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-4-11-7-13(5-6-14(11)15)18-9-12(17)8-16-10(2)3/h5-7,10,12,16-17H,4,8-9H2,1-3H3
InChIKeyOIPDPIHOLRSWPP-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-ethylphenoxy)propan-2-ol
CID 65277368
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
2-[(4-chloro-3-ethylphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103066944
2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 101042913
1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463569
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62485010
(4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone
CID 70524382
1-(but-3-yn-2-ylamino)-3-(3,4-dichlorophenoxy)propan-2-ol
CID 114416471
2-(hydroxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol;oxalic acid
CID 12681857
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol (CID 43247705) is 1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol is CCc1cc(OCC(O)CNC(C)C)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is OIPDPIHOLRSWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-11-7-13(5-6-14(11)15)18-9-12(17)8-16-10(2)3/h5-7,10,12,16-17H,4,8-9H2,1-3H3.
What are the key properties of 1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 43247705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).