2,4-dimethyl-N-(4-methylpentan-2-yl)aniline

C14H23N — CID 43104153

IUPAC2,4-dimethyl-N-(4-methylpentan-2-yl)aniline
SMILESCc1ccc(NC(C)CC(C)C)c(C)c1
InChIInChI=1S/C14H23N/c1-10(2)8-13(5)15-14-7-6-11(3)9-12(14)4/h6-7,9-10,13,15H,8H2,1-5H3
InChIKeyHQYBMGJVEGYLTG-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.15
Rot. Bonds4

About 2,4-dimethyl-N-(4-methylpentan-2-yl)aniline

2,4-dimethyl-N-(4-methylpentan-2-yl)aniline (PubChem CID 43104153) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2,4-dimethyl-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-(4-methylpentan-2-yl)aniline
PubChem CID43104153
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2,4-dimethyl-N-(4-methylpentan-2-yl)aniline
SMILESCc1ccc(NC(C)CC(C)C)c(C)c1
InChIInChI=1S/C14H23N/c1-10(2)8-13(5)15-14-7-6-11(3)9-12(14)4/h6-7,9-10,13,15H,8H2,1-5H3
InChIKeyHQYBMGJVEGYLTG-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dimethylanilino)propan-1-ol
CID 130502576
2-methyl-N-(4-methylpentan-2-yl)aniline
CID 43196655
3-methyl-4-(4-methylpentan-2-ylamino)benzamide
CID 43706917
4-N-[4-[N-ethyl-4-[3-methyl-4-(4-methylpentan-2-ylamino)anilino]anilino]phenyl]-2-methyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine
CID 170570761
2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735645
2-(2,4-dimethylanilino)propanethial
CID 123141058
2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 20976948
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43104045
N-(2,6-dimethylheptan-4-yl)-2-fluoro-4-methylaniline
CID 28890755
4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline
CID 28553794
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
CID 43105030

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of 2,4-dimethyl-N-(4-methylpentan-2-yl)aniline (CID 43104153) is 2,4-dimethyl-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for 2,4-dimethyl-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for 2,4-dimethyl-N-(4-methylpentan-2-yl)aniline is Cc1ccc(NC(C)CC(C)C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(4-methylpentan-2-yl)aniline?
The InChIKey is HQYBMGJVEGYLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10(2)8-13(5)15-14-7-6-11(3)9-12(14)4/h6-7,9-10,13,15H,8H2,1-5H3.
What are the key properties of 2,4-dimethyl-N-(4-methylpentan-2-yl)aniline?
2,4-dimethyl-N-(4-methylpentan-2-yl)aniline has a molecular weight of 205.34 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 43104153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).