4-heptyl-2-methylaniline

C14H23N — CID 23348805

IUPAC4-heptyl-2-methylaniline
SMILESCCCCCCCc1ccc(N)c(C)c1
InChIInChI=1S/C14H23N/c1-3-4-5-6-7-8-13-9-10-14(15)12(2)11-13/h9-11H,3-8,15H2,1-2H3
InChIKeyBFYBXBYZSHDRHL-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.09
Rot. Bonds6

About 4-heptyl-2-methylaniline

4-heptyl-2-methylaniline (PubChem CID 23348805) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-heptyl-2-methylaniline.

Molecular Properties

Compound Name4-heptyl-2-methylaniline
PubChem CID23348805
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4-heptyl-2-methylaniline
SMILESCCCCCCCc1ccc(N)c(C)c1
InChIInChI=1S/C14H23N/c1-3-4-5-6-7-8-13-9-10-14(15)12(2)11-13/h9-11H,3-8,15H2,1-2H3
InChIKeyBFYBXBYZSHDRHL-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-[5-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]pentyl]phenyl]ethyl]-2-methylaniline
CID 139903302
1,2-dimethyl-4-octylbenzene
CID 14044616
4-[[4-[14-[4-[(4-amino-3-methylphenyl)methyl]phenyl]tetradecyl]phenyl]methyl]-2-methylaniline
CID 22920596
4-[[4-[16-[4-[(4-amino-3-methylphenyl)methyl]phenyl]hexadecyl]phenyl]methyl]-2-methylaniline
CID 22919944
2-chloro-4-heptylaniline
CID 21161447
4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline
CID 68660073
2-fluoro-4-pentylaniline
CID 146198864
2-amino-5-hexylbenzenethiol;zinc
CID 67602653
2-methyl-4-octadecylphenol
CID 3022311
4-hexyl-2-methylbenzenethiol
CID 139814774
4-hexyl-2-methoxyaniline
CID 70551686
2,3-dihexylbenzene-1,4-diamine
CID 18324632

Frequently Asked Questions

What is the IUPAC name of 4-heptyl-2-methylaniline?
The IUPAC name of 4-heptyl-2-methylaniline (CID 23348805) is 4-heptyl-2-methylaniline.
What is the SMILES notation for 4-heptyl-2-methylaniline?
The canonical SMILES for 4-heptyl-2-methylaniline is CCCCCCCc1ccc(N)c(C)c1.
What is the InChIKey of 4-heptyl-2-methylaniline?
The InChIKey is BFYBXBYZSHDRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-4-5-6-7-8-13-9-10-14(15)12(2)11-13/h9-11H,3-8,15H2,1-2H3.
What are the key properties of 4-heptyl-2-methylaniline?
4-heptyl-2-methylaniline has a molecular weight of 205.34 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-2-methylaniline is sourced from PubChem (CID 23348805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).