(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine

C15H18N2O — CID 171200508

IUPAC(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
SMILESNCC[C@@H](N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H18N2O/c16-10-9-15(17)12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-8,11,15H,9-10,16-17H2/t15-/m1/s1
InChIKeyHDONCRCMCWUXBJ-OAHLLOKOSA-N
MW242.32 g/mol
LogP2.83
Rot. Bonds5

About (1R)-1-(3-phenoxyphenyl)propane-1,3-diamine

(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine (PubChem CID 171200508) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1R)-1-(3-phenoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
PubChem CID171200508
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
SMILESNCC[C@@H](N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H18N2O/c16-10-9-15(17)12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-8,11,15H,9-10,16-17H2/t15-/m1/s1
InChIKeyHDONCRCMCWUXBJ-OAHLLOKOSA-N
XLogP2.83
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220046
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
CID 112693450
(1S)-3-methyl-1-(3-phenoxyphenyl)butan-1-amine;hydrochloride
CID 171220068
(3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile
CID 171260327
(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine
CID 171200529
(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171220071
(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220070
(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171210172
[3-[(1S)-1,3-diaminopropyl]phenyl] acetate
CID 171229323
(1S)-1-(3-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171230857
(1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine
CID 171211255

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-phenoxyphenyl)propane-1,3-diamine?
The IUPAC name of (1R)-1-(3-phenoxyphenyl)propane-1,3-diamine (CID 171200508) is (1R)-1-(3-phenoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for (1R)-1-(3-phenoxyphenyl)propane-1,3-diamine?
The canonical SMILES for (1R)-1-(3-phenoxyphenyl)propane-1,3-diamine is NCC[C@@H](N)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (1R)-1-(3-phenoxyphenyl)propane-1,3-diamine?
The InChIKey is HDONCRCMCWUXBJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N2O/c16-10-9-15(17)12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-8,11,15H,9-10,16-17H2/t15-/m1/s1.
What are the key properties of (1R)-1-(3-phenoxyphenyl)propane-1,3-diamine?
(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine has a molecular weight of 242.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-phenoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 171200508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).