2-methyl-N-(4-methylpentan-2-yl)aniline

C13H21N — CID 43196655

IUPAC2-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCc1ccccc1NC(C)CC(C)C
InChIInChI=1S/C13H21N/c1-10(2)9-12(4)14-13-8-6-5-7-11(13)3/h5-8,10,12,14H,9H2,1-4H3
InChIKeyYLYJRWGUPWPULF-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.84
Rot. Bonds4

About 2-methyl-N-(4-methylpentan-2-yl)aniline

2-methyl-N-(4-methylpentan-2-yl)aniline (PubChem CID 43196655) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-methyl-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-(4-methylpentan-2-yl)aniline
PubChem CID43196655
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCc1ccccc1NC(C)CC(C)C
InChIInChI=1S/C13H21N/c1-10(2)9-12(4)14-13-8-6-5-7-11(13)3/h5-8,10,12,14H,9H2,1-4H3
InChIKeyYLYJRWGUPWPULF-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(5-methylhexan-2-yl)aniline
CID 43095435
2-methyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43108740
2,4-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 43104153
2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine
CID 95479757
2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 20976948
2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline
CID 43100384
methyl 3,5-dimethyl-2-(2-methylanilino)hexanoate
CID 114200917
2-(ethoxymethyl)-N-(4-methylpentan-2-yl)aniline
CID 43750390
3-methyl-4-(4-methylpentan-2-ylamino)benzamide
CID 43706917
N-but-3-en-2-yl-2-methylaniline
CID 14765790
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
N-(4-methylpentan-2-yl)quinolin-8-amine
CID 43097667

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of 2-methyl-N-(4-methylpentan-2-yl)aniline (CID 43196655) is 2-methyl-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for 2-methyl-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for 2-methyl-N-(4-methylpentan-2-yl)aniline is Cc1ccccc1NC(C)CC(C)C.
What is the InChIKey of 2-methyl-N-(4-methylpentan-2-yl)aniline?
The InChIKey is YLYJRWGUPWPULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)9-12(4)14-13-8-6-5-7-11(13)3/h5-8,10,12,14H,9H2,1-4H3.
What are the key properties of 2-methyl-N-(4-methylpentan-2-yl)aniline?
2-methyl-N-(4-methylpentan-2-yl)aniline has a molecular weight of 191.32 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 43196655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).