1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol

C17H28ClNO2 — CID 2914248

IUPAC1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
SMILESCC(C)CN(CC(C)C)CC(O)COc1ccccc1Cl
InChIInChI=1S/C17H28ClNO2/c1-13(2)9-19(10-14(3)4)11-15(20)12-21-17-8-6-5-7-16(17)18/h5-8,13-15,20H,9-12H2,1-4H3
InChIKeyHDXHODJLOSXAJJ-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.69
Rot. Bonds9

About 1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol

1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol (PubChem CID 2914248) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
PubChem CID2914248
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
SMILESCC(C)CN(CC(C)C)CC(O)COc1ccccc1Cl
InChIInChI=1S/C17H28ClNO2/c1-13(2)9-19(10-14(3)4)11-15(20)12-21-17-8-6-5-7-16(17)18/h5-8,13-15,20H,9-12H2,1-4H3
InChIKeyHDXHODJLOSXAJJ-UHFFFAOYSA-N
XLogP3.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol
CID 112820795
(2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 98734889
[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium
CID 2286972
1-(2-chlorophenoxy)-5-methylhexane-2,3-diol
CID 118334255
1-(2-methylphenoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 24717275
1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol
CID 112768273
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
(2S)-1-[benzyl(2-methylpropyl)amino]-3-(4-chlorophenoxy)propan-2-ol
CID 93161416
[(2S)-1-(2-chlorophenoxy)propan-2-yl]boronic acid
CID 124673132

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol?
The IUPAC name of 1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol (CID 2914248) is 1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol?
The canonical SMILES for 1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol is CC(C)CN(CC(C)C)CC(O)COc1ccccc1Cl.
What is the InChIKey of 1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol?
The InChIKey is HDXHODJLOSXAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO2/c1-13(2)9-19(10-14(3)4)11-15(20)12-21-17-8-6-5-7-16(17)18/h5-8,13-15,20H,9-12H2,1-4H3.
What are the key properties of 1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol?
1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol has a molecular weight of 313.87 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol is sourced from PubChem (CID 2914248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).