4-methyl-N-octan-4-ylaniline

C15H25N — CID 12779858

IUPAC4-methyl-N-octan-4-ylaniline
SMILESCCCCC(CCC)Nc1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-4-6-8-14(7-5-2)16-15-11-9-13(3)10-12-15/h9-12,14,16H,4-8H2,1-3H3
InChIKeyHZYLQSYFBVBBEN-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.77
Rot. Bonds7

About 4-methyl-N-octan-4-ylaniline

4-methyl-N-octan-4-ylaniline (PubChem CID 12779858) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-methyl-N-octan-4-ylaniline.

Molecular Properties

Compound Name4-methyl-N-octan-4-ylaniline
PubChem CID12779858
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-methyl-N-octan-4-ylaniline
SMILESCCCCC(CCC)Nc1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-4-6-8-14(7-5-2)16-15-11-9-13(3)10-12-15/h9-12,14,16H,4-8H2,1-3H3
InChIKeyHZYLQSYFBVBBEN-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-octan-4-ylaniline
CID 12779854
4-(octan-4-ylamino)benzenecarbothioamide
CID 114138123
N-heptan-4-yl-4-pentylaniline
CID 63421629
N-decan-4-yl-4-[[4-(decan-4-ylamino)phenyl]disulfanyl]aniline
CID 88842040
1-N'-(4-methylphenyl)butane-1,1-diamine
CID 143703381
ethyl 3-(4-methylanilino)hexanoate
CID 155464444
2-methyl-4-(octan-4-ylamino)benzoic acid
CID 106019638
3-(4-methylanilino)hexanoylcarbamic acid
CID 69428420
N-[1-(2-chlorophenyl)pentan-2-yl]-4-methylaniline
CID 10989831
N-tridecan-6-ylaniline
CID 151143089
2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine
CID 114137996
2-(4-methylanilino)heptanoic acid
CID 54889807

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-octan-4-ylaniline?
The IUPAC name of 4-methyl-N-octan-4-ylaniline (CID 12779858) is 4-methyl-N-octan-4-ylaniline.
What is the SMILES notation for 4-methyl-N-octan-4-ylaniline?
The canonical SMILES for 4-methyl-N-octan-4-ylaniline is CCCCC(CCC)Nc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-octan-4-ylaniline?
The InChIKey is HZYLQSYFBVBBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-6-8-14(7-5-2)16-15-11-9-13(3)10-12-15/h9-12,14,16H,4-8H2,1-3H3.
What are the key properties of 4-methyl-N-octan-4-ylaniline?
4-methyl-N-octan-4-ylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-octan-4-ylaniline is sourced from PubChem (CID 12779858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).