3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine

C13H17Cl2NO — CID 5327102

IUPAC3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine
SMILESC/C=C/N(C)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h3,5-7,10H,4,8-9H2,1-2H3/b7-3+
InChIKeyDRMJFAHOHBAAEZ-XVNBXDOJSA-N
MW274.19 g/mol
LogP4.23
Rot. Bonds6

About 3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine

3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine (PubChem CID 5327102) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine
PubChem CID5327102
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine
SMILESC/C=C/N(C)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h3,5-7,10H,4,8-9H2,1-2H3/b7-3+
InChIKeyDRMJFAHOHBAAEZ-XVNBXDOJSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62688620
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
tris[2-(2,4-dichlorophenoxy)ethyl]azanium
CID 2317161
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912
1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014390
N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913425
ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
CID 62012022
2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691948
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine?
The IUPAC name of 3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine (CID 5327102) is 3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine.
What is the SMILES notation for 3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine?
The canonical SMILES for 3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine is C/C=C/N(C)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine?
The InChIKey is DRMJFAHOHBAAEZ-XVNBXDOJSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h3,5-7,10H,4,8-9H2,1-2H3/b7-3+.
What are the key properties of 3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine?
3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine has a molecular weight of 274.19 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenoxy)-N-methyl-N-[(E)-prop-1-enyl]propan-1-amine is sourced from PubChem (CID 5327102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).