2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine

C12H15Cl2NO — CID 91552090

IUPAC2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine
SMILESCCCC(=CNOC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-3-4-9(8-15-16-2)11-6-5-10(13)7-12(11)14/h5-8,15H,3-4H2,1-2H3
InChIKeyIDMRECHGOLPMAT-UHFFFAOYSA-N
MW260.16 g/mol
LogP4.29
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine

2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine (PubChem CID 91552090) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine
PubChem CID91552090
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine
SMILESCCCC(=CNOC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-3-4-9(8-15-16-2)11-6-5-10(13)7-12(11)14/h5-8,15H,3-4H2,1-2H3
InChIKeyIDMRECHGOLPMAT-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene
CID 70323367
(E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one
CID 60869996
methyl 6-(2,4-dichlorophenyl)-6-oxohexanoate
CID 146009606
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate
CID 11723335
ethyl (E)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate
CID 124506565
1-(2,4-dichlorophenyl)decane-1,3-dione
CID 43321487
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole
CID 70462354
1-(2,4-dichlorophenyl)-5-ethoxypentane-1,3-dione
CID 43321488
(E)-2-(2,4-dichlorophenyl)hex-2-enenitrile
CID 119088707
2-[(2,4-dichlorophenyl)-hydroxymethylidene]propanedinitrile;2-[(2,4-dichlorophenyl)-methoxymethylidene]propanedinitrile
CID 159972633

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine (CID 91552090) is 2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine is CCCC(=CNOC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine?
The InChIKey is IDMRECHGOLPMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-3-4-9(8-15-16-2)11-6-5-10(13)7-12(11)14/h5-8,15H,3-4H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine?
2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine has a molecular weight of 260.16 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-methoxypent-1-en-1-amine is sourced from PubChem (CID 91552090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).