(3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine

C16H18N2O2 — CID 118860393

IUPAC(3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine
SMILESCOc1cccc(Nc2ccc3c(c2)OC[C@H](N)C3)c1
InChIInChI=1S/C16H18N2O2/c1-19-15-4-2-3-13(8-15)18-14-6-5-11-7-12(17)10-20-16(11)9-14/h2-6,8-9,12,18H,7,10,17H2,1H3/t12-/m1/s1
InChIKeyZVPANFDUERACPH-GFCCVEGCSA-N
MW270.33 g/mol
LogP2.70
Rot. Bonds3

About (3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine

(3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine (PubChem CID 118860393) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine.

Molecular Properties

Compound Name(3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine
PubChem CID118860393
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine
SMILESCOc1cccc(Nc2ccc3c(c2)OC[C@H](N)C3)c1
InChIInChI=1S/C16H18N2O2/c1-19-15-4-2-3-13(8-15)18-14-6-5-11-7-12(17)10-20-16(11)9-14/h2-6,8-9,12,18H,7,10,17H2,1H3/t12-/m1/s1
InChIKeyZVPANFDUERACPH-GFCCVEGCSA-N
XLogP2.70
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine?
The IUPAC name of (3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine (CID 118860393) is (3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine.
What is the SMILES notation for (3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine?
The canonical SMILES for (3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine is COc1cccc(Nc2ccc3c(c2)OC[C@H](N)C3)c1.
What is the InChIKey of (3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine?
The InChIKey is ZVPANFDUERACPH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-19-15-4-2-3-13(8-15)18-14-6-5-11-7-12(17)10-20-16(11)9-14/h2-6,8-9,12,18H,7,10,17H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine?
(3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine has a molecular weight of 270.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diamine is sourced from PubChem (CID 118860393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).