(1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol

C16H27NO — CID 78939931

IUPAC(1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol
SMILESCC(C)CN(CC(C)C)c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C16H27NO/c1-12(2)10-17(11-13(3)4)16-8-6-15(7-9-16)14(5)18/h6-9,12-14,18H,10-11H2,1-5H3/t14-/m1/s1
InChIKeyQAXGYKQMOFDJMZ-CQSZACIVSA-N
MW249.40 g/mol
LogP3.86
Rot. Bonds6

About (1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol

(1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol (PubChem CID 78939931) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol
PubChem CID78939931
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol
SMILESCC(C)CN(CC(C)C)c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C16H27NO/c1-12(2)10-17(11-13(3)4)16-8-6-15(7-9-16)14(5)18/h6-9,12-14,18H,10-11H2,1-5H3/t14-/m1/s1
InChIKeyQAXGYKQMOFDJMZ-CQSZACIVSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol
CID 114066768
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
N,N-bis(2-methylpropyl)aniline
CID 5169898
[4-[bis[4-[bis(2-methylpropyl)amino]phenyl]azaniumyl]phenyl]-bis[4-[bis(2-methylpropyl)amino]phenyl]azanium
CID 155642161
1-[N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79387539
1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 55010438
1-[4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63956428
(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 55184841
(1S)-1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 104869553
(1S)-1-[3-chloro-4-[ethyl(2-methylpropyl)amino]phenyl]ethanol
CID 78939599
(1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol
CID 78940853
2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide
CID 55183029

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol (CID 78939931) is (1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol is CC(C)CN(CC(C)C)c1ccc([C@@H](C)O)cc1.
What is the InChIKey of (1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol?
The InChIKey is QAXGYKQMOFDJMZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)10-17(11-13(3)4)16-8-6-15(7-9-16)14(5)18/h6-9,12-14,18H,10-11H2,1-5H3/t14-/m1/s1.
What are the key properties of (1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol?
(1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol has a molecular weight of 249.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol is sourced from PubChem (CID 78939931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).