2-amino-2-(4-propoxyphenyl)propan-1-ol

C12H19NO2 — CID 61056640

IUPAC2-amino-2-(4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(C)(N)CO)cc1
InChIInChI=1S/C12H19NO2/c1-3-8-15-11-6-4-10(5-7-11)12(2,13)9-14/h4-7,14H,3,8-9,13H2,1-2H3
InChIKeyRHOKTCPEECGXGM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.64
Rot. Bonds5

About 2-amino-2-(4-propoxyphenyl)propan-1-ol

2-amino-2-(4-propoxyphenyl)propan-1-ol (PubChem CID 61056640) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-2-(4-propoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-(4-propoxyphenyl)propan-1-ol
PubChem CID61056640
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-amino-2-(4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(C)(N)CO)cc1
InChIInChI=1S/C12H19NO2/c1-3-8-15-11-6-4-10(5-7-11)12(2,13)9-14/h4-7,14H,3,8-9,13H2,1-2H3
InChIKeyRHOKTCPEECGXGM-UHFFFAOYSA-N
XLogP1.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-2-(4-propoxyphenyl)propan-2-amine
CID 62796268
2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol
CID 64802925
1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
CID 11481238
(3S)-3-amino-3-(4-butoxyphenyl)butanoic acid
CID 2054301
3-methyl-2-(4-propoxyphenyl)pentan-2-amine
CID 55120756
2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine
CID 112566600
2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol
CID 64802066
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
1-(4-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 62795916
2-hydroxy-2-(4-propoxyphenyl)propanoic acid
CID 61237802
2-methyl-2-(methylamino)-6-(4-propoxyphenoxy)hexan-1-ol
CID 64805410
ethyl 2,2-difluoro-2-(4-propoxyphenyl)acetate
CID 55120663

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-propoxyphenyl)propan-1-ol?
The IUPAC name of 2-amino-2-(4-propoxyphenyl)propan-1-ol (CID 61056640) is 2-amino-2-(4-propoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-2-(4-propoxyphenyl)propan-1-ol?
The canonical SMILES for 2-amino-2-(4-propoxyphenyl)propan-1-ol is CCCOc1ccc(C(C)(N)CO)cc1.
What is the InChIKey of 2-amino-2-(4-propoxyphenyl)propan-1-ol?
The InChIKey is RHOKTCPEECGXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-8-15-11-6-4-10(5-7-11)12(2,13)9-14/h4-7,14H,3,8-9,13H2,1-2H3.
What are the key properties of 2-amino-2-(4-propoxyphenyl)propan-1-ol?
2-amino-2-(4-propoxyphenyl)propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-propoxyphenyl)propan-1-ol is sourced from PubChem (CID 61056640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).