N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline

C18H24N2O — CID 21031130

IUPACN-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline
SMILESNCCCCc1ccc(OCCNc2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c19-13-5-4-6-16-9-11-18(12-10-16)21-15-14-20-17-7-2-1-3-8-17/h1-3,7-12,20H,4-6,13-15,19H2
InChIKeyZWTHSCPPTITSRV-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.46
Rot. Bonds9

About N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline

N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline (PubChem CID 21031130) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline.

Molecular Properties

Compound NameN-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline
PubChem CID21031130
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline
SMILESNCCCCc1ccc(OCCNc2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c19-13-5-4-6-16-9-11-18(12-10-16)21-15-14-20-17-7-2-1-3-8-17/h1-3,7-12,20H,4-6,13-15,19H2
InChIKeyZWTHSCPPTITSRV-UHFFFAOYSA-N
XLogP3.46
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54796136
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603
N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800211
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline
CID 54801188
3-[4-(3-fluoropropoxy)phenyl]propan-1-amine
CID 53434413
4-(2-anilinoethoxy)benzonitrile
CID 134030846
N-chloro-2-[4-(4-phenylbutoxy)phenyl]ethanamine
CID 89281693
4-(4-heptylphenoxy)butan-1-amine
CID 164576429
3-[4-(2-phenylethoxy)anilino]propan-1-ol
CID 143523886
N'-phenylheptane-1,7-diamine
CID 61149618
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline?
The IUPAC name of N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline (CID 21031130) is N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline.
What is the SMILES notation for N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline?
The canonical SMILES for N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline is NCCCCc1ccc(OCCNc2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline?
The InChIKey is ZWTHSCPPTITSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c19-13-5-4-6-16-9-11-18(12-10-16)21-15-14-20-17-7-2-1-3-8-17/h1-3,7-12,20H,4-6,13-15,19H2.
What are the key properties of N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline?
N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline has a molecular weight of 284.40 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline is sourced from PubChem (CID 21031130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).