2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol

C18H31NO — CID 60969435

IUPAC2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)CN(C)C(C)C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-13(2)11-16-7-9-17(10-8-16)18(20)12-19(6)15(5)14(3)4/h7-10,13-15,18,20H,11-12H2,1-6H3
InChIKeyXCXAFYGDOWSLPN-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.89
Rot. Bonds7

About 2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol

2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol (PubChem CID 60969435) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
PubChem CID60969435
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)CN(C)C(C)C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-13(2)11-16-7-9-17(10-8-16)18(20)12-19(6)15(5)14(3)4/h7-10,13-15,18,20H,11-12H2,1-6H3
InChIKeyXCXAFYGDOWSLPN-UHFFFAOYSA-N
XLogP3.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-methoxypropan-2-yl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60971114
2-[2-hydroxyethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217026
2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949204
2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid
CID 82217025
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
2-[ethyl(2-hydroxyethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217024
2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63470564
2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82938199
1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol
CID 54948959
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol
CID 82928091
2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63466664

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol (CID 60969435) is 2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol is CC(C)Cc1ccc(C(O)CN(C)C(C)C(C)C)cc1.
What is the InChIKey of 2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
The InChIKey is XCXAFYGDOWSLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-13(2)11-16-7-9-17(10-8-16)18(20)12-19(6)15(5)14(3)4/h7-10,13-15,18,20H,11-12H2,1-6H3.
What are the key properties of 2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol?
2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol has a molecular weight of 277.45 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 60969435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).