(2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol

C18H23NO — CID 10945486

IUPAC(2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol
SMILESCC(C)C[C@H](N)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)13-17(19)18(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,20H,13,19H2,1-2H3/t17-/m0/s1
InChIKeyXECSMDWXBMBRDE-KRWDZBQOSA-N
MW269.39 g/mol
LogP3.30
Rot. Bonds5

About (2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol

(2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol (PubChem CID 10945486) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol
PubChem CID10945486
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol
SMILESCC(C)C[C@H](N)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)13-17(19)18(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,20H,13,19H2,1-2H3/t17-/m0/s1
InChIKeyXECSMDWXBMBRDE-KRWDZBQOSA-N
XLogP3.30
TPSA46.25 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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol?
The IUPAC name of (2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol (CID 10945486) is (2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol.
What is the SMILES notation for (2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol?
The canonical SMILES for (2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol is CC(C)C[C@H](N)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol?
The InChIKey is XECSMDWXBMBRDE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)13-17(19)18(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,20H,13,19H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol?
(2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol is sourced from PubChem (CID 10945486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).