N-heptan-4-yl-2-methoxy-5-methylaniline

C15H25NO — CID 29294066

IUPACN-heptan-4-yl-2-methoxy-5-methylaniline
SMILESCCCC(CCC)Nc1cc(C)ccc1OC
InChIInChI=1S/C15H25NO/c1-5-7-13(8-6-2)16-14-11-12(3)9-10-15(14)17-4/h9-11,13,16H,5-8H2,1-4H3
InChIKeyCKXHVCAYFUAGEJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.38
Rot. Bonds7

About N-heptan-4-yl-2-methoxy-5-methylaniline

N-heptan-4-yl-2-methoxy-5-methylaniline (PubChem CID 29294066) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-heptan-4-yl-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-heptan-4-yl-2-methoxy-5-methylaniline
PubChem CID29294066
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-heptan-4-yl-2-methoxy-5-methylaniline
SMILESCCCC(CCC)Nc1cc(C)ccc1OC
InChIInChI=1S/C15H25NO/c1-5-7-13(8-6-2)16-14-11-12(3)9-10-15(14)17-4/h9-11,13,16H,5-8H2,1-4H3
InChIKeyCKXHVCAYFUAGEJ-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-heptan-4-yl-2-methoxyaniline
CID 28510318
N-hexan-2-yl-2-methoxy-5-methylaniline
CID 43761107
N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline
CID 43107521
N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline
CID 43110887
1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine
CID 62160648
5-methoxy-2-methyl-N-octan-4-ylpyridin-4-amine
CID 106026562
1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea
CID 58607437
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
2-N-(2-methoxyphenyl)pentane-1,2-diamine
CID 65385480
methyl 3-(2-methoxy-5-methylanilino)butanoate
CID 43536710
2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113511
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-2-methoxy-5-methylaniline?
The IUPAC name of N-heptan-4-yl-2-methoxy-5-methylaniline (CID 29294066) is N-heptan-4-yl-2-methoxy-5-methylaniline.
What is the SMILES notation for N-heptan-4-yl-2-methoxy-5-methylaniline?
The canonical SMILES for N-heptan-4-yl-2-methoxy-5-methylaniline is CCCC(CCC)Nc1cc(C)ccc1OC.
What is the InChIKey of N-heptan-4-yl-2-methoxy-5-methylaniline?
The InChIKey is CKXHVCAYFUAGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-7-13(8-6-2)16-14-11-12(3)9-10-15(14)17-4/h9-11,13,16H,5-8H2,1-4H3.
What are the key properties of N-heptan-4-yl-2-methoxy-5-methylaniline?
N-heptan-4-yl-2-methoxy-5-methylaniline has a molecular weight of 235.37 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-2-methoxy-5-methylaniline is sourced from PubChem (CID 29294066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).