N-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine

C11H11BrClN — CID 155549462

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C11H11BrClN/c1-3-6-14(2)8-9-4-5-10(12)7-11(9)13/h1,4-5,7H,6,8H2,2H3
InChIKeyUPAVRBHHWOGDQI-UHFFFAOYSA-N
MW272.57 g/mol
LogP3.17
Rot. Bonds3

About N-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine

N-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine (PubChem CID 155549462) has the molecular formula C11H11BrClN and a molecular weight of 272.57 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine
PubChem CID155549462
Molecular FormulaC11H11BrClN
Molecular Weight272.57 g/mol
Exact Mass270.98
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C11H11BrClN/c1-3-6-14(2)8-9-4-5-10(12)7-11(9)13/h1,4-5,7H,6,8H2,2H3
InChIKeyUPAVRBHHWOGDQI-UHFFFAOYSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.57
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-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

Pycr1-IN-1
CID 60670209
Chlorzymine
CID 21286
((4-Bromo-2-chlorophenyl)methyl)(methyl)amine
CID 22386925
(4-Bromo-2-chlorophenyl)methanamine
CID 25258775
1-(4-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 53407889
[2-(4-Bromo-2-chlorophenyl)ethyl]dimethylamine
CID 164751067
N-[(4-bromophenyl)methyl]-N-methylbut-3-yn-1-amine
CID 61688114
N-[(4-bromophenyl)methyl]-N-methylbut-2-yn-1-amine
CID 155534063
N-[(4-bromophenyl)methyl]-N-ethylprop-2-yn-1-amine
CID 155538779
N-[(4-bromophenyl)methyl]-N-prop-2-ynylpropan-1-amine
CID 155545695
N-[(2-bromo-4-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine
CID 155568339
[(4-Bromo-2-chlorophenyl)methyl](methyl)amine hydrochloride
CID 155822696

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine (CID 155549462) is N-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine is C#CCN(C)Cc1ccc(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine?
The InChIKey is UPAVRBHHWOGDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN/c1-3-6-14(2)8-9-4-5-10(12)7-11(9)13/h1,4-5,7H,6,8H2,2H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine?
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine has a molecular weight of 272.57 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 155549462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).