N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine

C11H13Cl2N — CID 114616826

IUPACN-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2N/c1-8(2)6-14-7-9-5-10(12)3-4-11(9)13/h3-5,14H,1,6-7H2,2H3
InChIKeyYHUQNVFGGHIICT-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.66
Rot. Bonds4

About N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine

N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine (PubChem CID 114616826) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine
PubChem CID114616826
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2N/c1-8(2)6-14-7-9-5-10(12)3-4-11(9)13/h3-5,14H,1,6-7H2,2H3
InChIKeyYHUQNVFGGHIICT-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 102673478
2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide
CID 112704006
ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate
CID 65315908
N-[(2,5-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115762676
N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 65316287
N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 65316170
2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol
CID 65317553
4-chloro-2-(2-methylprop-2-enyl)phenol
CID 57370913
N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 65316391
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 65316186
4-chloro-N-[(2,5-dichlorophenyl)methyl]-2-methylbutan-1-amine
CID 66092712
N'-tert-butyl-N-[(2,5-dichlorophenyl)methyl]propane-1,3-diamine
CID 113410442

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine (CID 114616826) is N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine is C=C(C)CNCc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine?
The InChIKey is YHUQNVFGGHIICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c1-8(2)6-14-7-9-5-10(12)3-4-11(9)13/h3-5,14H,1,6-7H2,2H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine?
N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine has a molecular weight of 230.14 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 114616826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).