2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol

C11H17NO2 — CID 91035668

IUPAC2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol
SMILESC[C@@H](N)Cc1ccc(CC(O)O)cc1
InChIInChI=1S/C11H17NO2/c1-8(12)6-9-2-4-10(5-3-9)7-11(13)14/h2-5,8,11,13-14H,6-7,12H2,1H3/t8-/m1/s1
InChIKeyXOQKUGQWCBDJRK-MRVPVSSYSA-N
MW195.26 g/mol
LogP0.43
Rot. Bonds4

About 2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol

2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol (PubChem CID 91035668) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol.

Molecular Properties

Compound Name2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol
PubChem CID91035668
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol
SMILESC[C@@H](N)Cc1ccc(CC(O)O)cc1
InChIInChI=1S/C11H17NO2/c1-8(12)6-9-2-4-10(5-3-9)7-11(13)14/h2-5,8,11,13-14H,6-7,12H2,1H3/t8-/m1/s1
InChIKeyXOQKUGQWCBDJRK-MRVPVSSYSA-N
XLogP0.43
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 447213
phenylalaninol, (R)-
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DL-Phenylalaninol
CID 76652
Benzenepentanol, delta-amino-
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2-Amino-2-phenylethanol
CID 92466
(R)-beta-aminophenethyl alcohol
CID 2724025
beta-Amino-4-octylbenzenebutanol Hydrochloride
CID 10064205
2-Amino-1-phenylpentan-1-ol--hydrogen chloride (1/1)
CID 46406
1-Propanol, 1-p-tolyl-2-amino-, hydrochloride
CID 37043
2-(4-(Aminomethyl)phenyl)ethan-1-ol
CID 22601458
2-Amino-1-(4-methylphenyl)propan-1-ol
CID 37044
2-Amino-2-phenylethan-1-ol
CID 134797

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol?
The IUPAC name of 2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol (CID 91035668) is 2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol.
What is the SMILES notation for 2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol?
The canonical SMILES for 2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol is C[C@@H](N)Cc1ccc(CC(O)O)cc1.
What is the InChIKey of 2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol?
The InChIKey is XOQKUGQWCBDJRK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(12)6-9-2-4-10(5-3-9)7-11(13)14/h2-5,8,11,13-14H,6-7,12H2,1H3/t8-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol?
2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol has a molecular weight of 195.26 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-aminopropyl]phenyl]ethane-1,1-diol is sourced from PubChem (CID 91035668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).