1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine

C16H20N2O2 — CID 170894473

IUPAC1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(N)CN)c(OCc2ccccc2)c1
InChIInChI=1S/C16H20N2O2/c1-19-13-7-8-14(15(18)10-17)16(9-13)20-11-12-5-3-2-4-6-12/h2-9,15H,10-11,17-18H2,1H3
InChIKeyZOBSKXRAAJVSJL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.23
Rot. Bonds6

About 1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine

1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine (PubChem CID 170894473) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
PubChem CID170894473
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(N)CN)c(OCc2ccccc2)c1
InChIInChI=1S/C16H20N2O2/c1-19-13-7-8-14(15(18)10-17)16(9-13)20-11-12-5-3-2-4-6-12/h2-9,15H,10-11,17-18H2,1H3
InChIKeyZOBSKXRAAJVSJL-UHFFFAOYSA-N
XLogP2.23
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
3-methoxy-2-(4-methoxy-2-phenylmethoxyphenyl)-3-oxopropanoic acid
CID 138968259
1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894728
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine
CID 171214322
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate
CID 138968204
1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine
CID 22756712
1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 60879589
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 78932859
1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine
CID 62802951
1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol
CID 113341049

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine (CID 170894473) is 1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine is COc1ccc(C(N)CN)c(OCc2ccccc2)c1.
What is the InChIKey of 1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine?
The InChIKey is ZOBSKXRAAJVSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-13-7-8-14(15(18)10-17)16(9-13)20-11-12-5-3-2-4-6-12/h2-9,15H,10-11,17-18H2,1H3.
What are the key properties of 1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine?
1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 170894473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).