3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol

C14H20ClNO2 — CID 112609944

IUPAC3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol
SMILESCC(O)C(C)Oc1c(Cl)cccc1CNC1CC1
InChIInChI=1S/C14H20ClNO2/c1-9(17)10(2)18-14-11(4-3-5-13(14)15)8-16-12-6-7-12/h3-5,9-10,12,16-17H,6-8H2,1-2H3
InChIKeyULQLZGSKIZCSQP-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.74
Rot. Bonds6

About 3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol

3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol (PubChem CID 112609944) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol.

Molecular Properties

Compound Name3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol
PubChem CID112609944
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol
SMILESCC(O)C(C)Oc1c(Cl)cccc1CNC1CC1
InChIInChI=1S/C14H20ClNO2/c1-9(17)10(2)18-14-11(4-3-5-13(14)15)8-16-12-6-7-12/h3-5,9-10,12,16-17H,6-8H2,1-2H3
InChIKeyULQLZGSKIZCSQP-UHFFFAOYSA-N
XLogP2.74
TPSA41.49 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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]propane-1,2-diol
CID 112609889
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115953772
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 112609936
N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine
CID 112609951
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953723
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115953715
N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953858
N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 115953806
N-[[3-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953820
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]propanamide
CID 43279005

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol?
The IUPAC name of 3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol (CID 112609944) is 3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol.
What is the SMILES notation for 3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol?
The canonical SMILES for 3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol is CC(O)C(C)Oc1c(Cl)cccc1CNC1CC1.
What is the InChIKey of 3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol?
The InChIKey is ULQLZGSKIZCSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(17)10(2)18-14-11(4-3-5-13(14)15)8-16-12-6-7-12/h3-5,9-10,12,16-17H,6-8H2,1-2H3.
What are the key properties of 3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol?
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol has a molecular weight of 269.77 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol is sourced from PubChem (CID 112609944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).