1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine

C22H24N2O2 — CID 22756712

IUPAC1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine
SMILESNCC(N)c1cccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C22H24N2O2/c23-14-20(24)19-12-7-13-21(25-15-17-8-3-1-4-9-17)22(19)26-16-18-10-5-2-6-11-18/h1-13,20H,14-16,23-24H2
InChIKeySEANCUNUSFOVLR-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.80
Rot. Bonds8

About 1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine

1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine (PubChem CID 22756712) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine
PubChem CID22756712
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine
SMILESNCC(N)c1cccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C22H24N2O2/c23-14-20(24)19-12-7-13-21(25-15-17-8-3-1-4-9-17)22(19)26-16-18-10-5-2-6-11-18/h1-13,20H,14-16,23-24H2
InChIKeySEANCUNUSFOVLR-UHFFFAOYSA-N
XLogP3.80
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol
CID 66515873
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
2-(2-phenylmethoxyphenyl)butane-1,3-diamine
CID 57280204
3,5-bis(1,2-diaminoethyl)-4-phenylmethoxybenzoic acid
CID 170894828
1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894728
1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894473
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine
CID 171251122
(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214381
2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol
CID 170856943
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of 1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine (CID 22756712) is 1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine is NCC(N)c1cccc(OCc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of 1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine?
The InChIKey is SEANCUNUSFOVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c23-14-20(24)19-12-7-13-21(25-15-17-8-3-1-4-9-17)22(19)26-16-18-10-5-2-6-11-18/h1-13,20H,14-16,23-24H2.
What are the key properties of 1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine?
1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine has a molecular weight of 348.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 22756712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).