1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine

C15H18N2O — CID 170894778

IUPAC1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine
SMILESCc1ccc(Oc2ccccc2C(N)CN)cc1
InChIInChI=1S/C15H18N2O/c1-11-6-8-12(9-7-11)18-15-5-3-2-4-13(15)14(17)10-16/h2-9,14H,10,16-17H2,1H3
InChIKeyOAOLHNSAGTWKDH-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.75
Rot. Bonds4

About 1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine

1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine (PubChem CID 170894778) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine
PubChem CID170894778
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine
SMILESCc1ccc(Oc2ccccc2C(N)CN)cc1
InChIInChI=1S/C15H18N2O/c1-11-6-8-12(9-7-11)18-15-5-3-2-4-13(15)14(17)10-16/h2-9,14H,10,16-17H2,1H3
InChIKeyOAOLHNSAGTWKDH-UHFFFAOYSA-N
XLogP2.75
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine
CID 66518149
1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine
CID 170894598
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine
CID 103959232
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 103959252
1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
(1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine
CID 103959322
1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889351
1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine
CID 112678379
1-[2-(4-nitrophenoxy)phenyl]propan-1-amine
CID 115995641
1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine
CID 68568288

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of 1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine (CID 170894778) is 1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine is Cc1ccc(Oc2ccccc2C(N)CN)cc1.
What is the InChIKey of 1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine?
The InChIKey is OAOLHNSAGTWKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-6-8-12(9-7-11)18-15-5-3-2-4-13(15)14(17)10-16/h2-9,14H,10,16-17H2,1H3.
What are the key properties of 1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine?
1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine has a molecular weight of 242.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 170894778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).