2-(2-methylpropylamino)-1,2-diphenylethanol

C18H23NO — CID 3036007

IUPAC2-(2-methylpropylamino)-1,2-diphenylethanol
SMILESCC(C)CNC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)13-19-17(15-9-5-3-6-10-15)18(20)16-11-7-4-8-12-16/h3-12,14,17-20H,13H2,1-2H3
InChIKeyAFUDNVRZGPHSQO-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.71
Rot. Bonds6

About 2-(2-methylpropylamino)-1,2-diphenylethanol

2-(2-methylpropylamino)-1,2-diphenylethanol (PubChem CID 3036007) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-1,2-diphenylethanol.

Molecular Properties

Compound Name2-(2-methylpropylamino)-1,2-diphenylethanol
PubChem CID3036007
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(2-methylpropylamino)-1,2-diphenylethanol
SMILESCC(C)CNC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)13-19-17(15-9-5-3-6-10-15)18(20)16-11-7-4-8-12-16/h3-12,14,17-20H,13H2,1-2H3
InChIKeyAFUDNVRZGPHSQO-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-1,2-diphenylethanol?
The IUPAC name of 2-(2-methylpropylamino)-1,2-diphenylethanol (CID 3036007) is 2-(2-methylpropylamino)-1,2-diphenylethanol.
What is the SMILES notation for 2-(2-methylpropylamino)-1,2-diphenylethanol?
The canonical SMILES for 2-(2-methylpropylamino)-1,2-diphenylethanol is CC(C)CNC(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-(2-methylpropylamino)-1,2-diphenylethanol?
The InChIKey is AFUDNVRZGPHSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)13-19-17(15-9-5-3-6-10-15)18(20)16-11-7-4-8-12-16/h3-12,14,17-20H,13H2,1-2H3.
What are the key properties of 2-(2-methylpropylamino)-1,2-diphenylethanol?
2-(2-methylpropylamino)-1,2-diphenylethanol has a molecular weight of 269.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-1,2-diphenylethanol is sourced from PubChem (CID 3036007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).