3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol

C18H31NO — CID 62617124

IUPAC3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol
SMILESCCC(CC)CN(CC)CC(C)C(O)c1ccccc1
InChIInChI=1S/C18H31NO/c1-5-16(6-2)14-19(7-3)13-15(4)18(20)17-11-9-8-10-12-17/h8-12,15-16,18,20H,5-7,13-14H2,1-4H3
InChIKeyFNAXSMGCMWYMKM-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.11
Rot. Bonds9

About 3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol

3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol (PubChem CID 62617124) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol
PubChem CID62617124
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol
SMILESCCC(CC)CN(CC)CC(C)C(O)c1ccccc1
InChIInChI=1S/C18H31NO/c1-5-16(6-2)14-19(7-3)13-15(4)18(20)17-11-9-8-10-12-17/h8-12,15-16,18,20H,5-7,13-14H2,1-4H3
InChIKeyFNAXSMGCMWYMKM-UHFFFAOYSA-N
XLogP4.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol
CID 62619340
(1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol
CID 921494
2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol
CID 79490992
3-[cyclopropyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62619676
N'-ethyl-2-methyl-N'-(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 62618547
3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62618121
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
3-(N-ethyl-3-methylanilino)-2-methyl-1-phenylpropan-1-ol
CID 62619514
[(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methanidylazanium
CID 87106757
1,2-diphenylethane-1,2-diol
CID 159073808
[(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide
CID 87106758
2-methyl-1-phenylhexane-1,5-diol
CID 104846103

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol (CID 62617124) is 3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol is CCC(CC)CN(CC)CC(C)C(O)c1ccccc1.
What is the InChIKey of 3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol?
The InChIKey is FNAXSMGCMWYMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-16(6-2)14-19(7-3)13-15(4)18(20)17-11-9-8-10-12-17/h8-12,15-16,18,20H,5-7,13-14H2,1-4H3.
What are the key properties of 3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol?
3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol has a molecular weight of 277.45 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 62617124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).