(3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine

C17H20BrN — CID 43107406

IUPAC(3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCc1cc(C)c(C)c(C(N)c2cccc(Br)c2)c1C
InChIInChI=1S/C17H20BrN/c1-10-8-11(2)13(4)16(12(10)3)17(19)14-6-5-7-15(18)9-14/h5-9,17H,19H2,1-4H3
InChIKeyYQCOQLSIWVFLFT-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.73
Rot. Bonds2

About (3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine

(3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine (PubChem CID 43107406) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is (3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
PubChem CID43107406
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name(3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCc1cc(C)c(C)c(C(N)c2cccc(Br)c2)c1C
InChIInChI=1S/C17H20BrN/c1-10-8-11(2)13(4)16(12(10)3)17(19)14-6-5-7-15(18)9-14/h5-9,17H,19H2,1-4H3
InChIKeyYQCOQLSIWVFLFT-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 81472287
(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43197723
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
(2,6-dichlorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43103917
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
3-[bromo-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107980891
(3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045269
amino-(3-bromophenyl)methanethiol
CID 116939544
(3-bromophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474225
(2-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43095843
(3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 103219936

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The IUPAC name of (3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine (CID 43107406) is (3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine.
What is the SMILES notation for (3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The canonical SMILES for (3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine is Cc1cc(C)c(C)c(C(N)c2cccc(Br)c2)c1C.
What is the InChIKey of (3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The InChIKey is YQCOQLSIWVFLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-10-8-11(2)13(4)16(12(10)3)17(19)14-6-5-7-15(18)9-14/h5-9,17H,19H2,1-4H3.
What are the key properties of (3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
(3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine has a molecular weight of 318.26 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanamine is sourced from PubChem (CID 43107406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).