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

C15H18N2O — CID 68568288

IUPAC1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine
SMILESCOc1ccc(-c2ccccc2C(N)CN)cc1
InChIInChI=1S/C15H18N2O/c1-18-12-8-6-11(7-9-12)13-4-2-3-5-14(13)15(17)10-16/h2-9,15H,10,16-17H2,1H3
InChIKeyKXPMBWWKUXYCSK-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.32
Rot. Bonds4

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

1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine (PubChem CID 68568288) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine
PubChem CID68568288
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine
SMILESCOc1ccc(-c2ccccc2C(N)CN)cc1
InChIInChI=1S/C15H18N2O/c1-18-12-8-6-11(7-9-12)13-4-2-3-5-14(13)15(17)10-16/h2-9,15H,10,16-17H2,1H3
InChIKeyKXPMBWWKUXYCSK-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine
CID 130648897
1-[2-(4-methylphenoxy)phenyl]ethane-1,2-diamine
CID 170894778
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
2-(1,2-diaminoethyl)-4-methoxyphenol
CID 55282717
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894473
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 65446088
4-[2-(4-methoxyphenyl)phenyl]pyridine
CID 173342516

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine?
The IUPAC name of 1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine (CID 68568288) is 1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine is COc1ccc(-c2ccccc2C(N)CN)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine?
The InChIKey is KXPMBWWKUXYCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-12-8-6-11(7-9-12)13-4-2-3-5-14(13)15(17)10-16/h2-9,15H,10,16-17H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine?
1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine has a molecular weight of 242.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 68568288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).