1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol

C16H28N2O3 — CID 64822026

IUPAC1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol
SMILESCOCCCN(CCOC)CC(O)(CN)c1ccccc1
InChIInChI=1S/C16H28N2O3/c1-20-11-6-9-18(10-12-21-2)14-16(19,13-17)15-7-4-3-5-8-15/h3-5,7-8,19H,6,9-14,17H2,1-2H3
InChIKeyZGVITZBERZJPPF-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.82
Rot. Bonds11

About 1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol

1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol (PubChem CID 64822026) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol
PubChem CID64822026
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol
SMILESCOCCCN(CCOC)CC(O)(CN)c1ccccc1
InChIInChI=1S/C16H28N2O3/c1-20-11-6-9-18(10-12-21-2)14-16(19,13-17)15-7-4-3-5-8-15/h3-5,7-8,19H,6,9-14,17H2,1-2H3
InChIKeyZGVITZBERZJPPF-UHFFFAOYSA-N
XLogP0.82
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[2-ethoxyethyl(ethyl)amino]-2-phenylpropan-2-ol
CID 64819365
1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol
CID 64820472
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine
CID 62260121
1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol
CID 64821841
N'-(2-methoxyethyl)-N'-methyl-2,2-diphenylpropane-1,3-diamine
CID 59200487
3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol
CID 115919423
1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 116695800
2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol
CID 116695232
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 54985082
2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid
CID 106489362
2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 120590580
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol (CID 64822026) is 1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol is COCCCN(CCOC)CC(O)(CN)c1ccccc1.
What is the InChIKey of 1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol?
The InChIKey is ZGVITZBERZJPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-20-11-6-9-18(10-12-21-2)14-16(19,13-17)15-7-4-3-5-8-15/h3-5,7-8,19H,6,9-14,17H2,1-2H3.
What are the key properties of 1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol?
1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 0.82, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 64822026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).