1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol

C16H25NO3 — CID 42836990

IUPAC1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CN(CCOC)Cc1ccccc1
InChIInChI=1S/C16H25NO3/c1-3-10-20-14-16(18)13-17(9-11-19-2)12-15-7-5-4-6-8-15/h3-8,16,18H,1,9-14H2,2H3
InChIKeyPCJKGYKAROBKSD-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.70
Rot. Bonds11

About 1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol

1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol (PubChem CID 42836990) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
PubChem CID42836990
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CN(CCOC)Cc1ccccc1
InChIInChI=1S/C16H25NO3/c1-3-10-20-14-16(18)13-17(9-11-19-2)12-15-7-5-4-6-8-15/h3-8,16,18H,1,9-14H2,2H3
InChIKeyPCJKGYKAROBKSD-UHFFFAOYSA-N
XLogP1.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[benzyl-[(4-methylphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46007539
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 93161426
1-[furan-2-ylmethyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713625
1-[benzyl(2-methoxyethyl)amino]pentan-2-ol
CID 24713640
(2S)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 93161579
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46006868
(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 93161480
1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682208
1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713876
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93146968
(2S)-1-[benzyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 93164335
1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 42666530

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol (CID 42836990) is 1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)CN(CCOC)Cc1ccccc1.
What is the InChIKey of 1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol?
The InChIKey is PCJKGYKAROBKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-10-20-14-16(18)13-17(9-11-19-2)12-15-7-5-4-6-8-15/h3-8,16,18H,1,9-14H2,2H3.
What are the key properties of 1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol?
1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.70, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 42836990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).