2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline

C18H23N — CID 162714206

IUPAC2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline
SMILESCc1ccc(C)c(N(c2ccccc2C)C(C)C)c1
InChIInChI=1S/C18H23N/c1-13(2)19(17-9-7-6-8-15(17)4)18-12-14(3)10-11-16(18)5/h6-13H,1-5H3
InChIKeyJFLOPWOVZXMBFU-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.16
Rot. Bonds3

About 2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline

2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline (PubChem CID 162714206) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline
PubChem CID162714206
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline
SMILESCc1ccc(C)c(N(c2ccccc2C)C(C)C)c1
InChIInChI=1S/C18H23N/c1-13(2)19(17-9-7-6-8-15(17)4)18-12-14(3)10-11-16(18)5/h6-13H,1-5H3
InChIKeyJFLOPWOVZXMBFU-UHFFFAOYSA-N
XLogP5.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline
CID 164803656
2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline
CID 138572544
2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol
CID 82978084
1-(N,2,5-trimethylanilino)propan-2-ol
CID 82112048
N,N-bis(diphenylphosphanyl)-2,5-dimethylaniline
CID 102327336
2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid
CID 119958661
2,6-dimethyl-N-propan-2-yl-N-(2-propan-2-ylphenyl)aniline
CID 155616430
N-benzyl-N,2,5-trimethylaniline
CID 15439716
2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline
CID 58932053
N-(2,5-dimethylphenyl)methanesulfonohydrazide
CID 82284532
1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine
CID 11813371
1-chloro-1-(2,5-dimethylphenyl)hydrazine
CID 88866189

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline?
The IUPAC name of 2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline (CID 162714206) is 2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline.
What is the SMILES notation for 2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline?
The canonical SMILES for 2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline is Cc1ccc(C)c(N(c2ccccc2C)C(C)C)c1.
What is the InChIKey of 2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline?
The InChIKey is JFLOPWOVZXMBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13(2)19(17-9-7-6-8-15(17)4)18-12-14(3)10-11-16(18)5/h6-13H,1-5H3.
What are the key properties of 2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline?
2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline has a molecular weight of 253.39 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline is sourced from PubChem (CID 162714206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).