(2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol

C14H23NO — CID 103924317

IUPAC(2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol
SMILESCC[C@H](CO)NCC(C)(C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-4-13(10-16)15-11-14(2,3)12-8-6-5-7-9-12/h5-9,13,15-16H,4,10-11H2,1-3H3/t13-/m1/s1
InChIKeyPNQZLIDXPBCPIS-CYBMUJFWSA-N
MW221.34 g/mol
LogP2.32
Rot. Bonds6

About (2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol

(2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol (PubChem CID 103924317) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol
PubChem CID103924317
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol
SMILESCC[C@H](CO)NCC(C)(C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-4-13(10-16)15-11-14(2,3)12-8-6-5-7-9-12/h5-9,13,15-16H,4,10-11H2,1-3H3/t13-/m1/s1
InChIKeyPNQZLIDXPBCPIS-CYBMUJFWSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol?
The IUPAC name of (2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol (CID 103924317) is (2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol?
The canonical SMILES for (2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol is CC[C@H](CO)NCC(C)(C)c1ccccc1.
What is the InChIKey of (2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol?
The InChIKey is PNQZLIDXPBCPIS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-13(10-16)15-11-14(2,3)12-8-6-5-7-9-12/h5-9,13,15-16H,4,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol?
(2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol is sourced from PubChem (CID 103924317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).