N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline

C17H21N — CID 60685873

IUPACN-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2cc(C)ccc2C)c1
InChIInChI=1S/C17H21N/c1-12-5-6-15(4)16(8-12)11-18-17-9-13(2)7-14(3)10-17/h5-10,18H,11H2,1-4H3
InChIKeyCMXXKISBWYAEHW-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.53
Rot. Bonds3

About N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline

N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline (PubChem CID 60685873) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
PubChem CID60685873
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2cc(C)ccc2C)c1
InChIInChI=1S/C17H21N/c1-12-5-6-15(4)16(8-12)11-18-17-9-13(2)7-14(3)10-17/h5-10,18H,11H2,1-4H3
InChIKeyCMXXKISBWYAEHW-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline
CID 63422057
N-[(2,5-dimethylphenyl)methyl]-4-propylaniline
CID 55198828
2,4,6-tribromo-N-[(2,5-dimethylphenyl)methyl]aniline
CID 63425110
3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 107582067
3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053885
1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone
CID 83313035
N-[(2,5-dimethylphenyl)methyl]-4-ethylsulfonylaniline
CID 60711317
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
N-[(2,5-dimethylphenyl)methyl]-4-(triazol-2-yl)aniline
CID 61062837
N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818225
N-[(2,5-dimethylphenyl)methyl]-2,6-difluoroaniline
CID 60687426

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline (CID 60685873) is N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline is Cc1cc(C)cc(NCc2cc(C)ccc2C)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline?
The InChIKey is CMXXKISBWYAEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-12-5-6-15(4)16(8-12)11-18-17-9-13(2)7-14(3)10-17/h5-10,18H,11H2,1-4H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline?
N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline has a molecular weight of 239.36 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline is sourced from PubChem (CID 60685873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).