(2R)-1-(3-phenylpropoxy)propan-2-amine

C12H19NO — CID 15118942

IUPAC(2R)-1-(3-phenylpropoxy)propan-2-amine
SMILESC[C@@H](N)COCCCc1ccccc1
InChIInChI=1S/C12H19NO/c1-11(13)10-14-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,13H2,1H3/t11-/m1/s1
InChIKeyOQZPARVULOGKOH-LLVKDONJSA-N
MW193.29 g/mol
LogP1.98
Rot. Bonds6

About (2R)-1-(3-phenylpropoxy)propan-2-amine

(2R)-1-(3-phenylpropoxy)propan-2-amine (PubChem CID 15118942) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2R)-1-(3-phenylpropoxy)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3-phenylpropoxy)propan-2-amine
PubChem CID15118942
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2R)-1-(3-phenylpropoxy)propan-2-amine
SMILESC[C@@H](N)COCCCc1ccccc1
InChIInChI=1S/C12H19NO/c1-11(13)10-14-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,13H2,1H3/t11-/m1/s1
InChIKeyOQZPARVULOGKOH-LLVKDONJSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-1-(3-phenylpropoxy)propan-2-amine 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

3-(3-phenylpropoxy)propane-1,2-diol
CID 66597635
4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
CID 43094230
1-(3-phenylpropoxy)pentan-2-ol
CID 62042803
1-(3-phenylpropoxy)-3-sulfanylpropan-2-ol
CID 175040300
1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol
CID 62268993
1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine
CID 55243631
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
1-[2-[1-phenyl-2-(3-phenylpropoxy)ethoxy]ethoxy]propan-2-ol
CID 58479078
(2R,3R)-3-chloro-1,4-bis(3-phenylpropoxy)butan-2-ol
CID 134933929
3-decoxypropylbenzene
CID 150065328
methyl (2S)-2-(3-phenylpropoxy)propanoate
CID 103337960
methyl (2R)-2-(3-phenylpropoxy)propanoate
CID 103337959

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-phenylpropoxy)propan-2-amine?
The IUPAC name of (2R)-1-(3-phenylpropoxy)propan-2-amine (CID 15118942) is (2R)-1-(3-phenylpropoxy)propan-2-amine.
What is the SMILES notation for (2R)-1-(3-phenylpropoxy)propan-2-amine?
The canonical SMILES for (2R)-1-(3-phenylpropoxy)propan-2-amine is C[C@@H](N)COCCCc1ccccc1.
What is the InChIKey of (2R)-1-(3-phenylpropoxy)propan-2-amine?
The InChIKey is OQZPARVULOGKOH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO/c1-11(13)10-14-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,13H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-(3-phenylpropoxy)propan-2-amine?
(2R)-1-(3-phenylpropoxy)propan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-phenylpropoxy)propan-2-amine is sourced from PubChem (CID 15118942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).