2-phenyl-3-tritiooxypropan-1-amine

C9H13NO — CID 162491169

IUPAC2-phenyl-3-tritiooxypropan-1-amine
SMILES[3H]OCC(CN)c1ccccc1
InChIInChI=1S/C9H13NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/i11T
InChIKeyDIVZNCUPEGZSEI-KNWSOFMKSA-N
MW153.22 g/mol
LogP0.72
Rot. Bonds4

About 2-phenyl-3-tritiooxypropan-1-amine

2-phenyl-3-tritiooxypropan-1-amine (PubChem CID 162491169) has the molecular formula C9H13NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-phenyl-3-tritiooxypropan-1-amine.

Molecular Properties

Compound Name2-phenyl-3-tritiooxypropan-1-amine
PubChem CID162491169
Molecular FormulaC9H13NO
Molecular Weight153.22 g/mol
Exact Mass153.11
IUPAC Name2-phenyl-3-tritiooxypropan-1-amine
SMILES[3H]OCC(CN)c1ccccc1
InChIInChI=1S/C9H13NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/i11T
InChIKeyDIVZNCUPEGZSEI-KNWSOFMKSA-N
XLogP0.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylbutane-1,4-diamine
CID 16770348
2-phenylpentane-1,5-diamine
CID 22770284
2-phenylpentan-1-amine
CID 14321247
3-methoxy-2-phenylpropan-1-amine
CID 66968828
2-phenyl-3-phenylsulfanylpropan-1-amine
CID 64536034
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 61242461
(3-amino-2-phenylpropyl) 2-aminoacetate
CID 174564415
(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
3-amino-2-(4-aminophenyl)propan-1-ol
CID 131676348
methyl (3R)-4-amino-3-phenylbutanoate
CID 13314421
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-tritiooxypropan-1-amine?
The IUPAC name of 2-phenyl-3-tritiooxypropan-1-amine (CID 162491169) is 2-phenyl-3-tritiooxypropan-1-amine.
What is the SMILES notation for 2-phenyl-3-tritiooxypropan-1-amine?
The canonical SMILES for 2-phenyl-3-tritiooxypropan-1-amine is [3H]OCC(CN)c1ccccc1.
What is the InChIKey of 2-phenyl-3-tritiooxypropan-1-amine?
The InChIKey is DIVZNCUPEGZSEI-KNWSOFMKSA-N. The full InChI is InChI=1S/C9H13NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/i11T.
What are the key properties of 2-phenyl-3-tritiooxypropan-1-amine?
2-phenyl-3-tritiooxypropan-1-amine has a molecular weight of 153.22 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-tritiooxypropan-1-amine is sourced from PubChem (CID 162491169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).