1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine

C23H25NO2 — CID 170864797

IUPAC1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H25NO2/c1-18(24)14-21-15-22(25-16-19-8-4-2-5-9-19)12-13-23(21)26-17-20-10-6-3-7-11-20/h2-13,15,18H,14,16-17,24H2,1H3
InChIKeyBVFZBJJBENDDKI-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.73
Rot. Bonds8

About 1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine

1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine (PubChem CID 170864797) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
PubChem CID170864797
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H25NO2/c1-18(24)14-21-15-22(25-16-19-8-4-2-5-9-19)12-13-23(21)26-17-20-10-6-3-7-11-20/h2-13,15,18H,14,16-17,24H2,1H3
InChIKeyBVFZBJJBENDDKI-UHFFFAOYSA-N
XLogP4.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 60906463
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene
CID 11121904
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 107700785
3-[2,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 86006432
(5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium
CID 122368996
2-(2-methylbutyl)-4-phenylmethoxyaniline
CID 123653214
1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine
CID 10564721
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63325862
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine (CID 170864797) is 1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine is CC(N)Cc1cc(OCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of 1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine?
The InChIKey is BVFZBJJBENDDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-18(24)14-21-15-22(25-16-19-8-4-2-5-9-19)12-13-23(21)26-17-20-10-6-3-7-11-20/h2-13,15,18H,14,16-17,24H2,1H3.
What are the key properties of 1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine?
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine has a molecular weight of 347.46 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 170864797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).