1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine

C12H15Cl2NO — CID 91236046

IUPAC1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine
SMILESCC(=Cc1ccc(Cl)cc1Cl)NOC(C)C
InChIInChI=1S/C12H15Cl2NO/c1-8(2)16-15-9(3)6-10-4-5-11(13)7-12(10)14/h4-8,15H,1-3H3
InChIKeyDRKLTULFHBGHRN-UHFFFAOYSA-N
MW260.16 g/mol
LogP4.28
Rot. Bonds4

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

1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine (PubChem CID 91236046) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine
PubChem CID91236046
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine
SMILESCC(=Cc1ccc(Cl)cc1Cl)NOC(C)C
InChIInChI=1S/C12H15Cl2NO/c1-8(2)16-15-9(3)6-10-4-5-11(13)7-12(10)14/h4-8,15H,1-3H3
InChIKeyDRKLTULFHBGHRN-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 54.28
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

(E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol
CID 103091134
3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340831
3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338180
5-(2,4-dichlorophenyl)-2,4-dimethylpent-4-enal
CID 54123935
2,4-dichloro-1-(2,2-difluoroethenyl)benzene
CID 101499085
N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide
CID 89145055
methyl (Z)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 67271124
methyl (E)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 58952572
2-[(2,4-dichlorophenyl)methylidene]-4-methyl-3-oxopentanenitrile
CID 47241595
N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340534
(E)-4-(4-chloro-2-fluorophenyl)-3-methylbut-3-en-2-amine
CID 103091665
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 46790952

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine (CID 91236046) is 1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine is CC(=Cc1ccc(Cl)cc1Cl)NOC(C)C.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine?
The InChIKey is DRKLTULFHBGHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-8(2)16-15-9(3)6-10-4-5-11(13)7-12(10)14/h4-8,15H,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine?
1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine has a molecular weight of 260.16 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine is sourced from PubChem (CID 91236046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).