1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol

C18H31NO — CID 63472288

IUPAC1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol
SMILESCCCCCN(C)CC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-7-8-13-19(5)14-17(20)15-9-11-16(12-10-15)18(2,3)4/h9-12,17,20H,6-8,13-14H2,1-5H3
InChIKeyHGOOLGHHNYBVHC-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.14
Rot. Bonds7

About 1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol

1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol (PubChem CID 63472288) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol
PubChem CID63472288
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol
SMILESCCCCCN(C)CC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-7-8-13-19(5)14-17(20)15-9-11-16(12-10-15)18(2,3)4/h9-12,17,20H,6-8,13-14H2,1-5H3
InChIKeyHGOOLGHHNYBVHC-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 54944684
2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid
CID 82216044
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol
CID 63471529
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
2-[2-[(2-hydroxy-2-phenylethyl)-methylamino]ethyl]hexanoic acid;dihydrochloride
CID 142749473
4-[3-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylamino]propyl]phenol
CID 70462662
2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
2-[3-(dimethylamino)propyl-methylamino]-1-(4-methoxyphenyl)ethanol
CID 63698745
1-chloro-3-[methyl(pentyl)amino]propan-2-ol
CID 112561245

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol (CID 63472288) is 1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol is CCCCCN(C)CC(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol?
The InChIKey is HGOOLGHHNYBVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-7-8-13-19(5)14-17(20)15-9-11-16(12-10-15)18(2,3)4/h9-12,17,20H,6-8,13-14H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol?
1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol has a molecular weight of 277.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol is sourced from PubChem (CID 63472288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).