2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine

C10H10Cl3NO — CID 91162721

IUPAC2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine
SMILESCONC(=C(C)Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl3NO/c1-6(11)10(14-15-2)7-3-4-8(12)9(13)5-7/h3-5,14H,1-2H3
InChIKeyJNMLFSTVGOLLSI-UHFFFAOYSA-N
MW266.56 g/mol
LogP4.07
Rot. Bonds3

About 2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine

2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine (PubChem CID 91162721) has the molecular formula C10H10Cl3NO and a molecular weight of 266.56 g/mol. Its IUPAC name is 2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine.

Molecular Properties

Compound Name2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine
PubChem CID91162721
Molecular FormulaC10H10Cl3NO
Molecular Weight266.56 g/mol
Exact Mass264.98
IUPAC Name2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine
SMILESCONC(=C(C)Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl3NO/c1-6(11)10(14-15-2)7-3-4-8(12)9(13)5-7/h3-5,14H,1-2H3
InChIKeyJNMLFSTVGOLLSI-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.56
LogP ≤ 54.07
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)-1-(3,4-dichlorophenyl)-N-methoxyethanimine
CID 52540048
methyl 2-amino-3-(3,4-dichlorophenyl)-3-oxopropanoate
CID 68768648
methyl 2-amino-3-(3,4-dichlorophenyl)-3-oxopropanoate;hydrochloride
CID 68768647
1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine
CID 2827019
5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide
CID 90976881
1-(3,4-dichlorophenyl)-N-methoxy-3-nitroprop-1-en-1-amine
CID 91024245
5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enoic acid
CID 91151521
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
2-oxopropyl 3,4-dichlorobenzoate
CID 954374
(E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine
CID 117058994
3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-methoxybicyclo[1.1.1]pentane-1-carboxamide
CID 163425201
3,4-dichloro-N-(2-methylpropoxy)benzamide
CID 115409805

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine?
The IUPAC name of 2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine (CID 91162721) is 2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine.
What is the SMILES notation for 2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine?
The canonical SMILES for 2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine is CONC(=C(C)Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine?
The InChIKey is JNMLFSTVGOLLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO/c1-6(11)10(14-15-2)7-3-4-8(12)9(13)5-7/h3-5,14H,1-2H3.
What are the key properties of 2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine?
2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine has a molecular weight of 266.56 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine is sourced from PubChem (CID 91162721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).