3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol

C14H24N2O — CID 43203138

IUPAC3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol
SMILESCC(NCC(C)(C)N(C)C)c1cccc(O)c1
InChIInChI=1S/C14H24N2O/c1-11(12-7-6-8-13(17)9-12)15-10-14(2,3)16(4)5/h6-9,11,15,17H,10H2,1-5H3
InChIKeyWZFXZABDMKGWKI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.38
Rot. Bonds5

About 3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol

3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol (PubChem CID 43203138) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol
PubChem CID43203138
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol
SMILESCC(NCC(C)(C)N(C)C)c1cccc(O)c1
InChIInChI=1S/C14H24N2O/c1-11(12-7-6-8-13(17)9-12)15-10-14(2,3)16(4)5/h6-9,11,15,17H,10H2,1-5H3
InChIKeyWZFXZABDMKGWKI-UHFFFAOYSA-N
XLogP2.38
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine
CID 43767786
3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141752
N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide
CID 113293150
1-N-[1-[4-(dimethylamino)phenyl]ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767769
3-[1-(2,2-difluoroethylamino)ethyl]phenol
CID 115405831
1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 82993925
3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol
CID 43205609
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
3-[(1S)-1-(3-methylbut-2-enylamino)ethyl]phenol
CID 122156905
3-[1-(2,2-dimethoxyethylamino)ethyl]phenol
CID 60816650
3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol
CID 124596699

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol?
The IUPAC name of 3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol (CID 43203138) is 3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol.
What is the SMILES notation for 3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol?
The canonical SMILES for 3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol is CC(NCC(C)(C)N(C)C)c1cccc(O)c1.
What is the InChIKey of 3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol?
The InChIKey is WZFXZABDMKGWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(12-7-6-8-13(17)9-12)15-10-14(2,3)16(4)5/h6-9,11,15,17H,10H2,1-5H3.
What are the key properties of 3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol?
3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol has a molecular weight of 236.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol is sourced from PubChem (CID 43203138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).