bis(3,5-dimethylphenyl)methanamine

C17H21N — CID 115796405

IUPACbis(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H21N/c1-11-5-12(2)8-15(7-11)17(18)16-9-13(3)6-14(4)10-16/h5-10,17H,18H2,1-4H3
InChIKeyIBZGTLOKMCICIE-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.97
Rot. Bonds2

About bis(3,5-dimethylphenyl)methanamine

bis(3,5-dimethylphenyl)methanamine (PubChem CID 115796405) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is bis(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Namebis(3,5-dimethylphenyl)methanamine
PubChem CID115796405
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Namebis(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H21N/c1-11-5-12(2)8-15(7-11)17(18)16-9-13(3)6-14(4)10-16/h5-10,17H,18H2,1-4H3
InChIKeyIBZGTLOKMCICIE-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine
CID 115796793
(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 43149143
bis(3-ethyl-5-methylphenyl)methanamine
CID 141070007
(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115796552
(3-fluoro-5-methylphenyl)-(4-methylphenyl)methanamine
CID 79704327
(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 115483715
(3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 115797230
(2,6-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 79522334
(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
CID 107515958
(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
CID 115853243
(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 55295473
amino-(3-amino-5-methylphenyl)methanol
CID 57041170

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethylphenyl)methanamine?
The IUPAC name of bis(3,5-dimethylphenyl)methanamine (CID 115796405) is bis(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for bis(3,5-dimethylphenyl)methanamine?
The canonical SMILES for bis(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc(C(N)c2cc(C)cc(C)c2)c1.
What is the InChIKey of bis(3,5-dimethylphenyl)methanamine?
The InChIKey is IBZGTLOKMCICIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-11-5-12(2)8-15(7-11)17(18)16-9-13(3)6-14(4)10-16/h5-10,17H,18H2,1-4H3.
What are the key properties of bis(3,5-dimethylphenyl)methanamine?
bis(3,5-dimethylphenyl)methanamine has a molecular weight of 239.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 115796405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).