(5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine

C18H21BrClN — CID 43378947

IUPAC(5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
SMILESCc1c(C)c(C)c(C(N)c2cc(Br)ccc2Cl)c(C)c1C
InChIInChI=1S/C18H21BrClN/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)15-8-14(19)6-7-16(15)20/h6-8,18H,21H2,1-5H3
InChIKeyGDOTZFSOZQSXDL-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.69
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine

(5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine (PubChem CID 43378947) has the molecular formula C18H21BrClN and a molecular weight of 366.73 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
PubChem CID43378947
Molecular FormulaC18H21BrClN
Molecular Weight366.73 g/mol
Exact Mass365.05
IUPAC Name(5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
SMILESCc1c(C)c(C)c(C(N)c2cc(Br)ccc2Cl)c(C)c1C
InChIInChI=1S/C18H21BrClN/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)15-8-14(19)6-7-16(15)20/h6-8,18H,21H2,1-5H3
InChIKeyGDOTZFSOZQSXDL-UHFFFAOYSA-N
XLogP5.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.73
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 114368823
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79992281
1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 83988607
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344673
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975
(R)-(5-bromo-2-chlorophenyl)-thiophen-2-ylmethanamine
CID 171223566
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171267829
1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63437653
(1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine
CID 130853844

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine (CID 43378947) is (5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine is Cc1c(C)c(C)c(C(N)c2cc(Br)ccc2Cl)c(C)c1C.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
The InChIKey is GDOTZFSOZQSXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)15-8-14(19)6-7-16(15)20/h6-8,18H,21H2,1-5H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
(5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine has a molecular weight of 366.73 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine is sourced from PubChem (CID 43378947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).