(2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine

C18H21Br2N — CID 114368823

IUPAC(2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
SMILESCc1c(C)c(C)c(C(N)c2cc(Br)ccc2Br)c(C)c1C
InChIInChI=1S/C18H21Br2N/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
InChIKeyYJRJNWGLRKQLPZ-UHFFFAOYSA-N
MW411.18 g/mol
LogP5.80
Rot. Bonds2

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

(2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine (PubChem CID 114368823) has the molecular formula C18H21Br2N and a molecular weight of 411.18 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
PubChem CID114368823
Molecular FormulaC18H21Br2N
Molecular Weight411.18 g/mol
Exact Mass409.00
IUPAC Name(2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
SMILESCc1c(C)c(C)c(C(N)c2cc(Br)ccc2Br)c(C)c1C
InChIInChI=1S/C18H21Br2N/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
InChIKeyYJRJNWGLRKQLPZ-UHFFFAOYSA-N
XLogP5.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.18
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151889
(5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43378947
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65433424
(1S)-1-(2,5-dibromophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171235050
(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine
CID 115353747
1-(2,5-dibromophenyl)prop-2-yn-1-amine
CID 104995956
3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran
CID 65152041
(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 114368817
(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095600

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
The IUPAC name of (2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine (CID 114368823) is (2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine.
What is the SMILES notation for (2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
The canonical SMILES for (2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine is Cc1c(C)c(C)c(C(N)c2cc(Br)ccc2Br)c(C)c1C.
What is the InChIKey of (2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
The InChIKey is YJRJNWGLRKQLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2N/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 (2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine?
(2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine has a molecular weight of 411.18 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine is sourced from PubChem (CID 114368823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).