(1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine

C14H16N2O — CID 66518149

IUPAC(1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine
SMILESNC[C@@H](N)c1ccccc1Oc1ccccc1
InChIInChI=1S/C14H16N2O/c15-10-13(16)12-8-4-5-9-14(12)17-11-6-2-1-3-7-11/h1-9,13H,10,15-16H2/t13-/m1/s1
InChIKeyAHEBCEMJDMLTAW-CYBMUJFWSA-N
MW228.30 g/mol
LogP2.44
Rot. Bonds4

About (1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine

(1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine (PubChem CID 66518149) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine
PubChem CID66518149
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine
SMILESNC[C@@H](N)c1ccccc1Oc1ccccc1
InChIInChI=1S/C14H16N2O/c15-10-13(16)12-8-4-5-9-14(12)17-11-6-2-1-3-7-11/h1-9,13H,10,15-16H2/t13-/m1/s1
InChIKeyAHEBCEMJDMLTAW-CYBMUJFWSA-N
XLogP2.44
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine
CID 170894778
1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine
CID 170894598
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine
CID 170894788
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
(2R)-2-amino-2-(2-phenoxyphenyl)acetonitrile
CID 129373301
1-phenoxy-2-[1-(2-phenoxyphenyl)ethyl]benzene
CID 139761762
(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine
CID 103959232
1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
CID 115995673
(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046
1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine
CID 22756712
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine (CID 66518149) is (1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine is NC[C@@H](N)c1ccccc1Oc1ccccc1.
What is the InChIKey of (1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine?
The InChIKey is AHEBCEMJDMLTAW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16N2O/c15-10-13(16)12-8-4-5-9-14(12)17-11-6-2-1-3-7-11/h1-9,13H,10,15-16H2/t13-/m1/s1.
What are the key properties of (1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine?
(1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66518149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).