N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine

C13H17Cl2NO — CID 114264048

IUPACN-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine
SMILESC=CCOC(C)CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-3-6-17-10(2)8-16-9-11-4-5-12(14)7-13(11)15/h3-5,7,10,16H,1,6,8-9H2,2H3
InChIKeyICVKTKKWIGPIDI-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.67
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine

N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine (PubChem CID 114264048) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine
PubChem CID114264048
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine
SMILESC=CCOC(C)CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-3-6-17-10(2)8-16-9-11-4-5-12(14)7-13(11)15/h3-5,7,10,16H,1,6,8-9H2,2H3
InChIKeyICVKTKKWIGPIDI-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-Chloro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746853
Benzylamine, 2,4-dichloro-N-(2-ethoxyethyl)-
CID 52317
Benzylamine, 3,4-dichloro-N-(2-ethoxyethyl)-
CID 52318
4-(2,4-Dichlorobenzyl)-2,6-dimethylmorpholine
CID 2843289
N-(4-chlorobenzyl)-N-(3-ethoxypropyl)amine
CID 4550247
N-(2,4-dichlorobenzyl)-2-methoxyethanamine hydrochloride
CID 6460284
(2,4-Dichlorobenzyl)(tetrahydro-2-furanylmethyl)amine hydrochloride
CID 17371091
(2-Chloro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746786
N-(2,6-dichlorobenzyl)-N-(3-ethoxypropyl)amine
CID 4548089
1-[(2,4-Dichlorobenzyl)amino]-2-propanol hydrochloride
CID 6457646
4-(2,4-Dichlorobenzyl)morpholine
CID 2055586
Butyl[(2,4-dichlorophenyl)methyl]amine hydrochloride
CID 17289396

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine (CID 114264048) is N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine is C=CCOC(C)CNCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine?
The InChIKey is ICVKTKKWIGPIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-3-6-17-10(2)8-16-9-11-4-5-12(14)7-13(11)15/h3-5,7,10,16H,1,6,8-9H2,2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine?
N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine has a molecular weight of 274.19 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine is sourced from PubChem (CID 114264048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).