1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol

C18H31NO2 — CID 63837243

IUPAC1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol
SMILESCCC(CC)C(C)NCC(O)COC(C)c1ccccc1
InChIInChI=1S/C18H31NO2/c1-5-16(6-2)14(3)19-12-18(20)13-21-15(4)17-10-8-7-9-11-17/h7-11,14-16,18-20H,5-6,12-13H2,1-4H3
InChIKeyVJLIMOQOIVDBAG-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.54
Rot. Bonds10

About 1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol

1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol (PubChem CID 63837243) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol
PubChem CID63837243
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol
SMILESCCC(CC)C(C)NCC(O)COC(C)c1ccccc1
InChIInChI=1S/C18H31NO2/c1-5-16(6-2)14(3)19-12-18(20)13-21-15(4)17-10-8-7-9-11-17/h7-11,14-16,18-20H,5-6,12-13H2,1-4H3
InChIKeyVJLIMOQOIVDBAG-UHFFFAOYSA-N
XLogP3.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250235
(2S)-2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79249364
1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol
CID 54938755
1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol
CID 60902275
1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol
CID 60910178
3-(3-ethylpentan-2-ylamino)-2-phenylpropanoic acid
CID 64559425
1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79352877
1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 83142673
1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 55071380
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
CID 60635394
1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 114942117

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol?
The IUPAC name of 1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol (CID 63837243) is 1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol is CCC(CC)C(C)NCC(O)COC(C)c1ccccc1.
What is the InChIKey of 1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol?
The InChIKey is VJLIMOQOIVDBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-16(6-2)14(3)19-12-18(20)13-21-15(4)17-10-8-7-9-11-17/h7-11,14-16,18-20H,5-6,12-13H2,1-4H3.
What are the key properties of 1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol?
1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol has a molecular weight of 293.45 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol is sourced from PubChem (CID 63837243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).