3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol

C18H23NO — CID 43221156

IUPAC3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
SMILESCC(C)c1ccc(C(C)NCc2cccc(O)c2)cc1
InChIInChI=1S/C18H23NO/c1-13(2)16-7-9-17(10-8-16)14(3)19-12-15-5-4-6-18(20)11-15/h4-11,13-14,19-20H,12H2,1-3H3
InChIKeyYOBPHZFOKRPQKN-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.37
Rot. Bonds5

About 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol

3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol (PubChem CID 43221156) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
PubChem CID43221156
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
SMILESCC(C)c1ccc(C(C)NCc2cccc(O)c2)cc1
InChIInChI=1S/C18H23NO/c1-13(2)16-7-9-17(10-8-16)14(3)19-12-15-5-4-6-18(20)11-15/h4-11,13-14,19-20H,12H2,1-3H3
InChIKeyYOBPHZFOKRPQKN-UHFFFAOYSA-N
XLogP4.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide
CID 47292127
3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
CID 95276770
3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol
CID 60790186
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
4-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]benzene-1,3-diol
CID 43712851
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol
CID 43222033
3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol
CID 95336432
(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 28645160

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol?
The IUPAC name of 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol (CID 43221156) is 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol is CC(C)c1ccc(C(C)NCc2cccc(O)c2)cc1.
What is the InChIKey of 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol?
The InChIKey is YOBPHZFOKRPQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)16-7-9-17(10-8-16)14(3)19-12-15-5-4-6-18(20)11-15/h4-11,13-14,19-20H,12H2,1-3H3.
What are the key properties of 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol?
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 43221156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).