2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine

C29H29NO3 — CID 10789198

IUPAC2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine
SMILESNCC(OCc1ccccc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C29H29NO3/c30-19-29(33-22-25-14-8-3-9-15-25)26-16-17-27(31-20-23-10-4-1-5-11-23)28(18-26)32-21-24-12-6-2-7-13-24/h1-18,29H,19-22,30H2
InChIKeyPWWYXEVVVMKONH-UHFFFAOYSA-N
MW439.56 g/mol
LogP6.06
Rot. Bonds11

About 2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine

2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine (PubChem CID 10789198) has the molecular formula C29H29NO3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine.

Molecular Properties

Compound Name2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine
PubChem CID10789198
Molecular FormulaC29H29NO3
Molecular Weight439.56 g/mol
Exact Mass439.21
IUPAC Name2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine
SMILESNCC(OCc1ccccc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C29H29NO3/c30-19-29(33-22-25-14-8-3-9-15-25)26-16-17-27(31-20-23-10-4-1-5-11-23)28(18-26)32-21-24-12-6-2-7-13-24/h1-18,29H,19-22,30H2
InChIKeyPWWYXEVVVMKONH-UHFFFAOYSA-N
XLogP6.06
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 170829202
2-[3,4-bis(prop-2-ynoxy)phenyl]-2-prop-2-ynoxyethanamine
CID 146368815
(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 68939021
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)butane-1,4-diamine
CID 171230001
(2R)-2-amino-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 70401187
(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230032
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 142645838
1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894576
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine?
The IUPAC name of 2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine (CID 10789198) is 2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine.
What is the SMILES notation for 2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine?
The canonical SMILES for 2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine is NCC(OCc1ccccc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine?
The InChIKey is PWWYXEVVVMKONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO3/c30-19-29(33-22-25-14-8-3-9-15-25)26-16-17-27(31-20-23-10-4-1-5-11-23)28(18-26)32-21-24-12-6-2-7-13-24/h1-18,29H,19-22,30H2.
What are the key properties of 2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine?
2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine has a molecular weight of 439.56 g/mol, XLogP of 6.06, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine is sourced from PubChem (CID 10789198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).