(2R)-2-(heptan-2-ylamino)-2-phenylethanol

C15H25NO — CID 103788664

IUPAC(2R)-2-(heptan-2-ylamino)-2-phenylethanol
SMILESCCCCCC(C)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H25NO/c1-3-4-6-9-13(2)16-15(12-17)14-10-7-5-8-11-14/h5,7-8,10-11,13,15-17H,3-4,6,9,12H2,1-2H3/t13?,15-/m0/s1
InChIKeyMBDMYZLCVBHHRZ-WUJWULDRSA-N
MW235.37 g/mol
LogP3.28
Rot. Bonds8

About (2R)-2-(heptan-2-ylamino)-2-phenylethanol

(2R)-2-(heptan-2-ylamino)-2-phenylethanol (PubChem CID 103788664) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2R)-2-(heptan-2-ylamino)-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-(heptan-2-ylamino)-2-phenylethanol
PubChem CID103788664
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2R)-2-(heptan-2-ylamino)-2-phenylethanol
SMILESCCCCCC(C)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H25NO/c1-3-4-6-9-13(2)16-15(12-17)14-10-7-5-8-11-14/h5,7-8,10-11,13,15-17H,3-4,6,9,12H2,1-2H3/t13?,15-/m0/s1
InChIKeyMBDMYZLCVBHHRZ-WUJWULDRSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-(heptan-2-ylamino)-2-phenylethanol with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-phenylpentyl)octan-2-amine
CID 43791089
(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
CID 113350842
(2S)-2-phenyl-2-[[(4R)-tridec-1-en-4-yl]amino]ethanol
CID 101125400
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
(2R)-2-(4-methoxybutan-2-ylamino)-2-phenylethanol
CID 103788815
4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid
CID 107862309
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
2-methylsulfanyl-3-(1-phenylhexylamino)butan-1-ol
CID 106159149
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
N-(1-phenylethyl)hexan-2-amine
CID 43755937
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
2-[1-(heptan-2-ylamino)propyl]phenol
CID 43572696

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(heptan-2-ylamino)-2-phenylethanol?
The IUPAC name of (2R)-2-(heptan-2-ylamino)-2-phenylethanol (CID 103788664) is (2R)-2-(heptan-2-ylamino)-2-phenylethanol.
What is the SMILES notation for (2R)-2-(heptan-2-ylamino)-2-phenylethanol?
The canonical SMILES for (2R)-2-(heptan-2-ylamino)-2-phenylethanol is CCCCCC(C)N[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-(heptan-2-ylamino)-2-phenylethanol?
The InChIKey is MBDMYZLCVBHHRZ-WUJWULDRSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-6-9-13(2)16-15(12-17)14-10-7-5-8-11-14/h5,7-8,10-11,13,15-17H,3-4,6,9,12H2,1-2H3/t13?,15-/m0/s1.
What are the key properties of (2R)-2-(heptan-2-ylamino)-2-phenylethanol?
(2R)-2-(heptan-2-ylamino)-2-phenylethanol has a molecular weight of 235.37 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(heptan-2-ylamino)-2-phenylethanol is sourced from PubChem (CID 103788664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).