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

C17H21NO — CID 43198537

IUPAC(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(C)cc2C)ccc1C
InChIInChI=1S/C17H21NO/c1-11-5-8-15(13(3)9-11)17(18)14-7-6-12(2)16(10-14)19-4/h5-10,17H,18H2,1-4H3
InChIKeyISHXINFKWNZTHL-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.67
Rot. Bonds3

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

(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine (PubChem CID 43198537) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
PubChem CID43198537
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(C)cc2C)ccc1C
InChIInChI=1S/C17H21NO/c1-11-5-8-15(13(3)9-11)17(18)14-7-6-12(2)16(10-14)19-4/h5-10,17H,18H2,1-4H3
InChIKeyISHXINFKWNZTHL-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43197259
(2,5-dichlorothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 43344866
N-[(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 43489971
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842
(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
CID 79746589
(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498
(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 81472440
(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449
(4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105006873

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine?
The IUPAC name of (2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine (CID 43198537) is (2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine.
What is the SMILES notation for (2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine?
The canonical SMILES for (2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine is COc1cc(C(N)c2ccc(C)cc2C)ccc1C.
What is the InChIKey of (2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine?
The InChIKey is ISHXINFKWNZTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11-5-8-15(13(3)9-11)17(18)14-7-6-12(2)16(10-14)19-4/h5-10,17H,18H2,1-4H3.
What are the key properties of (2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine?
(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine is sourced from PubChem (CID 43198537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).