1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol

C14H23NO2 — CID 62548727

IUPAC1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OCC(O)CNCC)cc1
InChIInChI=1S/C14H23NO2/c1-3-5-12-6-8-14(9-7-12)17-11-13(16)10-15-4-2/h6-9,13,15-16H,3-5,10-11H2,1-2H3
InChIKeyQQJMXWYEOKHRSC-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.99
Rot. Bonds8

About 1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol

1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol (PubChem CID 62548727) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol
PubChem CID62548727
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OCC(O)CNCC)cc1
InChIInChI=1S/C14H23NO2/c1-3-5-12-6-8-14(9-7-12)17-11-13(16)10-15-4-2/h6-9,13,15-16H,3-5,10-11H2,1-2H3
InChIKeyQQJMXWYEOKHRSC-UHFFFAOYSA-N
XLogP1.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine
CID 62549610
4,4,4-trifluoro-1-(4-propylphenoxy)butan-2-ol
CID 167828364
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol
CID 138960105
2-[4-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107709363
(2S)-1-(4-hexoxyphenoxy)-3-[2-(4-methoxyphenyl)ethylamino]propan-2-ol
CID 10201083
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-(4-propylphenoxy)propan-2-ol;hydrochloride
CID 22640809
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
2-methyl-N-propyl-3-(4-propylphenoxy)propan-1-amine
CID 62549611

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol (CID 62548727) is 1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol is CCCc1ccc(OCC(O)CNCC)cc1.
What is the InChIKey of 1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol?
The InChIKey is QQJMXWYEOKHRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-12-6-8-14(9-7-12)17-11-13(16)10-15-4-2/h6-9,13,15-16H,3-5,10-11H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol?
1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol is sourced from PubChem (CID 62548727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).