1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine

C20H27NO3 — CID 112752251

IUPAC1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OC)c1OCCOCc1ccccc1
InChIInChI=1S/C20H27NO3/c1-3-18(21)14-17-10-7-11-19(22-2)20(17)24-13-12-23-15-16-8-5-4-6-9-16/h4-11,18H,3,12-15,21H2,1-2H3
InChIKeyZUUCXBQRZSYWOY-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.57
Rot. Bonds10

About 1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine

1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine (PubChem CID 112752251) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine
PubChem CID112752251
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OC)c1OCCOCc1ccccc1
InChIInChI=1S/C20H27NO3/c1-3-18(21)14-17-10-7-11-19(22-2)20(17)24-13-12-23-15-16-8-5-4-6-9-16/h4-11,18H,3,12-15,21H2,1-2H3
InChIKeyZUUCXBQRZSYWOY-UHFFFAOYSA-N
XLogP3.57
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine
CID 61483305
1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine
CID 60907393
4-(2-methoxyphenyl)-3-(2-phenylmethoxyethoxy)butan-2-amine
CID 67664945
1-[3-ethoxy-2-(4-methoxybutoxy)phenyl]butan-2-amine
CID 104648823
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483304
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
(2S)-2-amino-3-[3-methoxy-2-(2-phenylethoxy)phenyl]propanoic acid
CID 54555113
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
2-amino-3-[3-methoxy-2-(2-methoxyethoxy)phenyl]propanoic acid
CID 54846591
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol
CID 170856943
1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60906800

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine (CID 112752251) is 1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(OC)c1OCCOCc1ccccc1.
What is the InChIKey of 1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine?
The InChIKey is ZUUCXBQRZSYWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-18(21)14-17-10-7-11-19(22-2)20(17)24-13-12-23-15-16-8-5-4-6-9-16/h4-11,18H,3,12-15,21H2,1-2H3.
What are the key properties of 1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine?
1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine has a molecular weight of 329.44 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 112752251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).