3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol

C14H20ClNO2 — CID 114067557

IUPAC3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol
SMILESOCCCN(c1c(Cl)cccc1CO)C1CCC1
InChIInChI=1S/C14H20ClNO2/c15-13-7-1-4-11(10-18)14(13)16(8-3-9-17)12-5-2-6-12/h1,4,7,12,17-18H,2-3,5-6,8-10H2
InChIKeyOCAYIEJIYXPYEF-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.57
Rot. Bonds6

About 3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol

3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol (PubChem CID 114067557) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol.

Molecular Properties

Compound Name3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol
PubChem CID114067557
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol
SMILESOCCCN(c1c(Cl)cccc1CO)C1CCC1
InChIInChI=1S/C14H20ClNO2/c15-13-7-1-4-11(10-18)14(13)16(8-3-9-17)12-5-2-6-12/h1,4,7,12,17-18H,2-3,5-6,8-10H2
InChIKeyOCAYIEJIYXPYEF-UHFFFAOYSA-N
XLogP2.57
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102859508
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3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol
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CID 114215177
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CID 107055806
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 102847463
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol
CID 54994680
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CID 61440812
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CID 102859346
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CID 107097897

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol?
The IUPAC name of 3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol (CID 114067557) is 3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol.
What is the SMILES notation for 3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol?
The canonical SMILES for 3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol is OCCCN(c1c(Cl)cccc1CO)C1CCC1.
What is the InChIKey of 3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol?
The InChIKey is OCAYIEJIYXPYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-13-7-1-4-11(10-18)14(13)16(8-3-9-17)12-5-2-6-12/h1,4,7,12,17-18H,2-3,5-6,8-10H2.
What are the key properties of 3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol?
3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol has a molecular weight of 269.77 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol is sourced from PubChem (CID 114067557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).