(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine

C17H21N — CID 43149160

IUPAC(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2cccc(C)c2C)cc1C
InChIInChI=1S/C17H21N/c1-11-8-9-15(10-13(11)3)17(18)16-7-5-6-12(2)14(16)4/h5-10,17H,18H2,1-4H3
InChIKeyXZSBYTQPCAICLR-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.97
Rot. Bonds2

About (2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine

(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine (PubChem CID 43149160) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine
PubChem CID43149160
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2cccc(C)c2C)cc1C
InChIInChI=1S/C17H21N/c1-11-8-9-15(10-13(11)3)17(18)16-7-5-6-12(2)14(16)4/h5-10,17H,18H2,1-4H3
InChIKeyXZSBYTQPCAICLR-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

1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane
CID 141181995
(3,4-dimethylphenyl)-naphthalen-1-ylmethanamine
CID 43149180
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine
CID 115566688
(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024853
1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane
CID 142540260
(2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115850522
(2,3-dimethylphenyl)-(2-methylquinolin-6-yl)methanamine
CID 105020875
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 115850319
(3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 105140227
(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802611
(2,6-dichlorophenyl)-(3,4-dimethylphenyl)methanamine
CID 43149184

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine?
The IUPAC name of (2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine (CID 43149160) is (2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine?
The canonical SMILES for (2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine is Cc1ccc(C(N)c2cccc(C)c2C)cc1C.
What is the InChIKey of (2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine?
The InChIKey is XZSBYTQPCAICLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-11-8-9-15(10-13(11)3)17(18)16-7-5-6-12(2)14(16)4/h5-10,17H,18H2,1-4H3.
What are the key properties of (2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine?
(2,3-dimethylphenyl)-(3,4-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 (2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 43149160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).