N-[4-(4-methylphenoxy)butyl]aniline

C17H21NO — CID 82096490

IUPACN-[4-(4-methylphenoxy)butyl]aniline
SMILESCc1ccc(OCCCCNc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-15-9-11-17(12-10-15)19-14-6-5-13-18-16-7-3-2-4-8-16/h2-4,7-12,18H,5-6,13-14H2,1H3
InChIKeyZIFBLHXVVIOSHO-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.27
Rot. Bonds7

About N-[4-(4-methylphenoxy)butyl]aniline

N-[4-(4-methylphenoxy)butyl]aniline (PubChem CID 82096490) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)butyl]aniline.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)butyl]aniline
PubChem CID82096490
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[4-(4-methylphenoxy)butyl]aniline
SMILESCc1ccc(OCCCCNc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-15-9-11-17(12-10-15)19-14-6-5-13-18-16-7-3-2-4-8-16/h2-4,7-12,18H,5-6,13-14H2,1H3
InChIKeyZIFBLHXVVIOSHO-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096501
3,5-dimethyl-N-(4-phenoxybutyl)aniline
CID 82096327
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800838
N-[3-(4-ethylphenoxy)propyl]-4-methylaniline
CID 82096367
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916
[4-(12-anilinododecoxy)phenyl]-phenylmethanone
CID 15398969
N-(4-methoxybutyl)aniline
CID 13042774
N-[3-(4-methylphenoxy)propyl]-4-propan-2-ylaniline
CID 82096139
N-[10-(4-nitrophenoxy)decyl]aniline
CID 15706921
4-[4-(2-phenoxyethoxy)anilino]butan-1-ol
CID 54803419
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)butyl]aniline?
The IUPAC name of N-[4-(4-methylphenoxy)butyl]aniline (CID 82096490) is N-[4-(4-methylphenoxy)butyl]aniline.
What is the SMILES notation for N-[4-(4-methylphenoxy)butyl]aniline?
The canonical SMILES for N-[4-(4-methylphenoxy)butyl]aniline is Cc1ccc(OCCCCNc2ccccc2)cc1.
What is the InChIKey of N-[4-(4-methylphenoxy)butyl]aniline?
The InChIKey is ZIFBLHXVVIOSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-15-9-11-17(12-10-15)19-14-6-5-13-18-16-7-3-2-4-8-16/h2-4,7-12,18H,5-6,13-14H2,1H3.
What are the key properties of N-[4-(4-methylphenoxy)butyl]aniline?
N-[4-(4-methylphenoxy)butyl]aniline has a molecular weight of 255.36 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)butyl]aniline is sourced from PubChem (CID 82096490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).