3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide

C15H23ClN2O — CID 43368956

IUPAC3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1cc(C(C)C)c(Cl)cc1C
InChIInChI=1S/C15H23ClN2O/c1-5-11(7-15(17)18)19-14-8-12(9(2)3)13(16)6-10(14)4/h6,8-9,11H,5,7H2,1-4H3,(H3,17,18)
InChIKeyOSOFODIEICFOKO-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.26
Rot. Bonds6

About 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide

3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide (PubChem CID 43368956) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide.

Molecular Properties

Compound Name3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide
PubChem CID43368956
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1cc(C(C)C)c(Cl)cc1C
InChIInChI=1S/C15H23ClN2O/c1-5-11(7-15(17)18)19-14-8-12(9(2)3)13(16)6-10(14)4/h6,8-9,11H,5,7H2,1-4H3,(H3,17,18)
InChIKeyOSOFODIEICFOKO-UHFFFAOYSA-N
XLogP4.26
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-Chloro-2-isopropyl-5-methylphenoxy)ethanamine
CID 5296008
2-(4-Chloro-2-methyl-5-propan-2-ylphenoxy)-3,3,3-trifluoropropan-1-amine
CID 43752979
3-(4-Chloro-2-methyl-5-propan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753359
2-[(4-Chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366750
2-[(4-Chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-3,3,3-trifluoropropanethioamide
CID 103369114
2-[(4-Chloro-2,6-dimethylphenoxy)methyl]-3,3,3-trifluoropropanimidamide
CID 103370941
2-[(4-Chloro-3-methylphenoxy)methyl]-3,3,3-trifluoropropanimidamide
CID 103370956
2-[(4-Chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-3,3,3-trifluoropropanimidamide
CID 103370987
2-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3,3,3-trifluoropropanimidamide
CID 103370991
2-[(4-Chloro-3-ethylphenoxy)methyl]-3,3,3-trifluoropropanimidamide
CID 103370992
2-[(4-Chloro-2-methylphenoxy)methyl]-3,3,3-trifluoropropanimidamide
CID 113808197
2-[4-Chloro-2-methyl-5-(propan-2-yl)phenoxy]-3,3,4,4,4-pentafluorobutan-1-amine
CID 165735630

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide?
The IUPAC name of 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide (CID 43368956) is 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide.
What is the SMILES notation for 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide?
The canonical SMILES for 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide is [H]/N=C(\N)CC(CC)Oc1cc(C(C)C)c(Cl)cc1C.
What is the InChIKey of 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide?
The InChIKey is OSOFODIEICFOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-5-11(7-15(17)18)19-14-8-12(9(2)3)13(16)6-10(14)4/h6,8-9,11H,5,7H2,1-4H3,(H3,17,18).
What are the key properties of 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide?
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide has a molecular weight of 282.81 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide is sourced from PubChem (CID 43368956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).