1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol

C14H23ClN2O2 — CID 115475001

IUPAC1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C14H23ClN2O2/c1-17(10-12-5-3-4-6-14(12)15)11-13(18)9-16-7-8-19-2/h3-6,13,16,18H,7-11H2,1-2H3
InChIKeyFEVMHFAQJRWDJW-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.37
Rot. Bonds9

About 1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol

1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 115475001) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
PubChem CID115475001
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C14H23ClN2O2/c1-17(10-12-5-3-4-6-14(12)15)11-13(18)9-16-7-8-19-2/h3-6,13,16,18H,7-11H2,1-2H3
InChIKeyFEVMHFAQJRWDJW-UHFFFAOYSA-N
XLogP1.37
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol
CID 61416953
1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol
CID 113317474
1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317433
1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol
CID 61416955
1-[(2-chlorophenyl)methylsulfinyl]-3-(2-methoxyethylamino)propan-2-ol
CID 103291641
1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317632
1-(2-methoxyethylamino)-3-[methyl(propyl)amino]propan-2-ol
CID 115474889
4-[(2-chlorophenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 82777064
1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol
CID 103159801
2-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
CID 55088725
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol (CID 115475001) is 1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)CN(C)Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is FEVMHFAQJRWDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-17(10-12-5-3-4-6-14(12)15)11-13(18)9-16-7-8-19-2/h3-6,13,16,18H,7-11H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol?
1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 286.80 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 115475001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).