1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol

C13H21NO3 — CID 19098989

IUPAC1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol
SMILESCOCCOCCCC(N)(O)c1ccccc1
InChIInChI=1S/C13H21NO3/c1-16-10-11-17-9-5-8-13(14,15)12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11,14H2,1H3
InChIKeyDSESJTLMMSTWMR-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.23
Rot. Bonds8

About 1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol

1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol (PubChem CID 19098989) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol
PubChem CID19098989
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol
SMILESCOCCOCCCC(N)(O)c1ccccc1
InChIInChI=1S/C13H21NO3/c1-16-10-11-17-9-5-8-13(14,15)12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11,14H2,1H3
InChIKeyDSESJTLMMSTWMR-UHFFFAOYSA-N
XLogP1.23
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-5-(2-methoxyethoxy)-2-phenylpentanoic acid
CID 106489358
2-amino-3-[3-(2-methoxyethoxy)propoxy]-2-phenylpropanamide
CID 103404950
2-amino-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpropanamide
CID 55078489
(6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene
CID 170451960
2-(aminomethyl)-4-(3-methoxypropoxy)-2-phenylbutanoic acid
CID 106489385
[1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]benzene
CID 79447335
2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid
CID 106489362
5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid
CID 70349078
[(3S)-7-methoxy-2,2,3-trimethylheptan-3-yl]benzene
CID 159915288
4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695482
1-amino-3-chloro-1-phenylpropan-1-ol
CID 175404294
benzene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 19879698

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol?
The IUPAC name of 1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol (CID 19098989) is 1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol.
What is the SMILES notation for 1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol?
The canonical SMILES for 1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol is COCCOCCCC(N)(O)c1ccccc1.
What is the InChIKey of 1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol?
The InChIKey is DSESJTLMMSTWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-16-10-11-17-9-5-8-13(14,15)12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11,14H2,1H3.
What are the key properties of 1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol?
1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol is sourced from PubChem (CID 19098989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).