(1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine

C28H28N2O2 — CID 12543528

IUPAC(1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine
SMILESCOc1ccccc1[C@@H](Nc1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1OC
InChIInChI=1S/C28H28N2O2/c1-31-25-19-11-9-17-23(25)27(29-21-13-5-3-6-14-21)28(30-22-15-7-4-8-16-22)24-18-10-12-20-26(24)32-2/h3-20,27-30H,1-2H3/t27-,28+
InChIKeyGYTLEZCAAVVMBB-HNRBIFIRSA-N
MW424.54 g/mol
LogP6.71
Rot. Bonds9

About (1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine

(1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine (PubChem CID 12543528) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is (1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine.

Molecular Properties

Compound Name(1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine
PubChem CID12543528
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name(1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine
SMILESCOc1ccccc1[C@@H](Nc1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1OC
InChIInChI=1S/C28H28N2O2/c1-31-25-19-11-9-17-23(25)27(29-21-13-5-3-6-14-21)28(30-22-15-7-4-8-16-22)24-18-10-12-20-26(24)32-2/h3-20,27-30H,1-2H3/t27-,28+
InChIKeyGYTLEZCAAVVMBB-HNRBIFIRSA-N
XLogP6.71
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43190017
bis(2-methoxyphenyl)methylhydrazine
CID 105191029
2-methoxy-N-phenylaniline
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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine?
The IUPAC name of (1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine (CID 12543528) is (1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine.
What is the SMILES notation for (1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine?
The canonical SMILES for (1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine is COc1ccccc1[C@@H](Nc1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1OC.
What is the InChIKey of (1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine?
The InChIKey is GYTLEZCAAVVMBB-HNRBIFIRSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-31-25-19-11-9-17-23(25)27(29-21-13-5-3-6-14-21)28(30-22-15-7-4-8-16-22)24-18-10-12-20-26(24)32-2/h3-20,27-30H,1-2H3/t27-,28+.
What are the key properties of (1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine?
(1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine has a molecular weight of 424.54 g/mol, XLogP of 6.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine is sourced from PubChem (CID 12543528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).