3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol

C16H26ClNO2 — CID 62630165

IUPAC3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol
SMILESCCC(C)N(CCOC)CCC(O)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO2/c1-4-13(2)18(11-12-20-3)10-9-16(19)14-7-5-6-8-15(14)17/h5-8,13,16,19H,4,9-12H2,1-3H3
InChIKeyKQQVPUKSRODFGU-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.51
Rot. Bonds9

About 3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol

3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol (PubChem CID 62630165) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol
PubChem CID62630165
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol
SMILESCCC(C)N(CCOC)CCC(O)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO2/c1-4-13(2)18(11-12-20-3)10-9-16(19)14-7-5-6-8-15(14)17/h5-8,13,16,19H,4,9-12H2,1-3H3
InChIKeyKQQVPUKSRODFGU-UHFFFAOYSA-N
XLogP3.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-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-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 62617478
1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82953010
1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol
CID 62628760
1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 113426386
1-(2-chlorophenyl)-3-ethoxypropan-1-ol
CID 115601597
1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol
CID 55098928
N'-butan-2-yl-N'-(2-methoxyethyl)-N-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62624514
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62643467
N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62645246
1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol
CID 167646139

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol?
The IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol (CID 62630165) is 3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol is CCC(C)N(CCOC)CCC(O)c1ccccc1Cl.
What is the InChIKey of 3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol?
The InChIKey is KQQVPUKSRODFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-4-13(2)18(11-12-20-3)10-9-16(19)14-7-5-6-8-15(14)17/h5-8,13,16,19H,4,9-12H2,1-3H3.
What are the key properties of 3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol?
3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol has a molecular weight of 299.84 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol is sourced from PubChem (CID 62630165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).