1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol

C18H31NO2 — CID 4966118

IUPAC1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCCCCN(CC)CC(O)COc1ccccc1C(C)C
InChIInChI=1S/C18H31NO2/c1-5-7-12-19(6-2)13-16(20)14-21-18-11-9-8-10-17(18)15(3)4/h8-11,15-16,20H,5-7,12-14H2,1-4H3
InChIKeyLTYIDVOKOVSMMW-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.67
Rot. Bonds10

About 1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol

1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol (PubChem CID 4966118) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
PubChem CID4966118
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCCCCN(CC)CC(O)COc1ccccc1C(C)C
InChIInChI=1S/C18H31NO2/c1-5-7-12-19(6-2)13-16(20)14-21-18-11-9-8-10-17(18)15(3)4/h8-11,15-16,20H,5-7,12-14H2,1-4H3
InChIKeyLTYIDVOKOVSMMW-UHFFFAOYSA-N
XLogP3.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine
CID 2263014
(2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 95232149
(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 95231993
(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
1-(dibutylamino)-3-(2-nitrophenoxy)propan-2-ol;hydrochloride
CID 2915319
1-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl-methylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 156789903
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 18070854
1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
CID 46863798
N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine
CID 43125934
1-octoxy-2-propan-2-ylbenzene
CID 64765685
1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 71651455

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol (CID 4966118) is 1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol is CCCCN(CC)CC(O)COc1ccccc1C(C)C.
What is the InChIKey of 1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is LTYIDVOKOVSMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-7-12-19(6-2)13-16(20)14-21-18-11-9-8-10-17(18)15(3)4/h8-11,15-16,20H,5-7,12-14H2,1-4H3.
What are the key properties of 1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol?
1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 293.45 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 4966118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).