2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol

C18H23NO — CID 60897047

IUPAC2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNCc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-14(2)16-8-10-17(11-9-16)18(20)13-19-12-15-6-4-3-5-7-15/h3-11,14,18-20H,12-13H2,1-2H3
InChIKeyXAXTZGAGCVUTMB-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.63
Rot. Bonds6

About 2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol

2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 60897047) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID60897047
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNCc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-14(2)16-8-10-17(11-9-16)18(20)13-19-12-15-6-4-3-5-7-15/h3-11,14,18-20H,12-13H2,1-2H3
InChIKeyXAXTZGAGCVUTMB-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-1-(4-phenylphenyl)ethanol
CID 12526842
(1R)-2-(benzylamino)-1-naphthalen-2-ylethanol
CID 93383727
2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol
CID 70463218
2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol
CID 60896560
1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol
CID 166178913
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
(2S)-1-(benzylamino)propan-2-ol
CID 964914
[4-[2-(benzylamino)-1-hydroxyethyl]phenyl] methanesulfonate
CID 91353118
2-[(4-iodophenyl)methylamino]-1-phenylethanol
CID 65479403
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 11587721

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol (CID 60897047) is 2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)CNCc2ccccc2)cc1.
What is the InChIKey of 2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is XAXTZGAGCVUTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)16-8-10-17(11-9-16)18(20)13-19-12-15-6-4-3-5-7-15/h3-11,14,18-20H,12-13H2,1-2H3.
What are the key properties of 2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol?
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 269.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 60897047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).