2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine

C14H19BrClN — CID 107004984

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)C1CC1(C)C
InChIInChI=1S/C14H19BrClN/c1-14(2)8-11(14)13(17-3)6-9-4-5-10(15)7-12(9)16/h4-5,7,11,13,17H,6,8H2,1-3H3
InChIKeyDEKVEPGJRLWDNP-UHFFFAOYSA-N
MW316.67 g/mol
LogP4.28
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine

2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine (PubChem CID 107004984) has the molecular formula C14H19BrClN and a molecular weight of 316.67 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
PubChem CID107004984
Molecular FormulaC14H19BrClN
Molecular Weight316.67 g/mol
Exact Mass315.04
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)C1CC1(C)C
InChIInChI=1S/C14H19BrClN/c1-14(2)8-11(14)13(17-3)6-9-4-5-10(15)7-12(9)16/h4-5,7,11,13,17H,6,8H2,1-3H3
InChIKeyDEKVEPGJRLWDNP-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine with MolForge

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107190878
2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004316
[2-(4-bromo-2-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231757
[2-(4-bromo-2-chlorophenyl)-1-cyclohexylethyl]hydrazine
CID 105201861
[2-(4-bromo-2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105224466
4-bromo-2-chloro-1-(2-chloropropyl)benzene
CID 130480423
2-(4-bromo-2-chlorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 105037983
[2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine
CID 105255480
1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107004322
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 113471301
2-(4-bromo-2-chlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105181702
1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine
CID 105037951

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine (CID 107004984) is 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1Cl)C1CC1(C)C.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine?
The InChIKey is DEKVEPGJRLWDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN/c1-14(2)8-11(14)13(17-3)6-9-4-5-10(15)7-12(9)16/h4-5,7,11,13,17H,6,8H2,1-3H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine?
2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine has a molecular weight of 316.67 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine is sourced from PubChem (CID 107004984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).