(2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride

C16H26ClNO — CID 23595

IUPAC(2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride
SMILESC=CCOc1c(C[NH3+])cc(CCC)cc1CCC.[Cl-]
InChIInChI=1S/C16H25NO.ClH/c1-4-7-13-10-14(8-5-2)16(18-9-6-3)15(11-13)12-17;/h6,10-11H,3-5,7-9,12,17H2,1-2H3;1H
InChIKeyDUNGVFNNEPWLEN-UHFFFAOYSA-N
MW283.84 g/mol
LogP-0.10
Rot. Bonds8

About (2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride

(2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride (PubChem CID 23595) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is (2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride.

Molecular Properties

Compound Name(2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride
PubChem CID23595
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name(2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride
SMILESC=CCOc1c(C[NH3+])cc(CCC)cc1CCC.[Cl-]
InChIInChI=1S/C16H25NO.ClH/c1-4-7-13-10-14(8-5-2)16(18-9-6-3)15(11-13)12-17;/h6,10-11H,3-5,7-9,12,17H2,1-2H3;1H
InChIKeyDUNGVFNNEPWLEN-UHFFFAOYSA-N
XLogP-0.10
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-prop-2-enoxy-3,5-dipropylbenzoyl chloride
CID 125469452
1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene
CID 141200812
2,6-bis(prop-2-enyl)-4-propylphenol
CID 67656083
3-ethyl-2-methyl-4-prop-2-enoxy-5-propylbenzoic acid
CID 3022100
(2,4,6-tripropylphenyl)phosphane
CID 158148560
1-ethenyl-2,4-dipropylbenzene
CID 22033822
8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
CID 23459774
(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine
CID 54849601
1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene
CID 101311555
2-tert-butyl-1,3,5-tripropylbenzene
CID 123952647
N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
CID 60888312
N-[(3,5-difluoro-4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 79892254

Frequently Asked Questions

What is the IUPAC name of (2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride?
The IUPAC name of (2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride (CID 23595) is (2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride.
What is the SMILES notation for (2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride?
The canonical SMILES for (2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride is C=CCOc1c(C[NH3+])cc(CCC)cc1CCC.[Cl-].
What is the InChIKey of (2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride?
The InChIKey is DUNGVFNNEPWLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-4-7-13-10-14(8-5-2)16(18-9-6-3)15(11-13)12-17;/h6,10-11H,3-5,7-9,12,17H2,1-2H3;1H.
What are the key properties of (2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride?
(2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride has a molecular weight of 283.84 g/mol, XLogP of -0.10, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride is sourced from PubChem (CID 23595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).