2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol

C16H27NO — CID 63239146

IUPAC2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
SMILESCC(C)Cc1ccc(C(C)NCC(C)(C)O)cc1
InChIInChI=1S/C16H27NO/c1-12(2)10-14-6-8-15(9-7-14)13(3)17-11-16(4,5)18/h6-9,12-13,17-18H,10-11H2,1-5H3
InChIKeyOPPFEQFUCWYWOG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.31
Rot. Bonds6

About 2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol

2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol (PubChem CID 63239146) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
PubChem CID63239146
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
SMILESCC(C)Cc1ccc(C(C)NCC(C)(C)O)cc1
InChIInChI=1S/C16H27NO/c1-12(2)10-14-6-8-15(9-7-14)13(3)17-11-16(4,5)18/h6-9,12-13,17-18H,10-11H2,1-5H3
InChIKeyOPPFEQFUCWYWOG-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 78913238
2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine
CID 113464994
1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62773408
2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine
CID 45253324
(2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol
CID 167815224
N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane
CID 158178381
3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol
CID 65108247
1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897141
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol
CID 103785241
tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate
CID 10516674
2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile
CID 60647965
2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine
CID 63964174

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol (CID 63239146) is 2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol is CC(C)Cc1ccc(C(C)NCC(C)(C)O)cc1.
What is the InChIKey of 2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol?
The InChIKey is OPPFEQFUCWYWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)10-14-6-8-15(9-7-14)13(3)17-11-16(4,5)18/h6-9,12-13,17-18H,10-11H2,1-5H3.
What are the key properties of 2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol?
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol is sourced from PubChem (CID 63239146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).