4-(3-amino-6-phenoxyhexoxy)aniline

C18H24N2O2 — CID 20534953

IUPAC4-(3-amino-6-phenoxyhexoxy)aniline
SMILESNc1ccc(OCCC(N)CCCOc2ccccc2)cc1
InChIInChI=1S/C18H24N2O2/c19-15(5-4-13-21-17-6-2-1-3-7-17)12-14-22-18-10-8-16(20)9-11-18/h1-3,6-11,15H,4-5,12-14,19-20H2
InChIKeyMYUDNFKNUAZOCF-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.22
Rot. Bonds9

About 4-(3-amino-6-phenoxyhexoxy)aniline

4-(3-amino-6-phenoxyhexoxy)aniline (PubChem CID 20534953) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-(3-amino-6-phenoxyhexoxy)aniline.

Molecular Properties

Compound Name4-(3-amino-6-phenoxyhexoxy)aniline
PubChem CID20534953
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name4-(3-amino-6-phenoxyhexoxy)aniline
SMILESNc1ccc(OCCC(N)CCCOc2ccccc2)cc1
InChIInChI=1S/C18H24N2O2/c19-15(5-4-13-21-17-6-2-1-3-7-17)12-14-22-18-10-8-16(20)9-11-18/h1-3,6-11,15H,4-5,12-14,19-20H2
InChIKeyMYUDNFKNUAZOCF-UHFFFAOYSA-N
XLogP3.22
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-methylsulfonyl-1-phenoxyhexan-3-amine
CID 63192307
(2S)-4-phenoxybutane-1,2-diamine
CID 131851229
5-phenoxy-1-phenylpentan-2-amine
CID 62935761
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
(2R)-2-amino-7-phenoxyheptane-1-thiol
CID 87875923
1,1,1-trifluoro-5-phenoxypentan-3-amine
CID 115002824
2-amino-6-phenoxyhexane-1-thiol;hydrochloride
CID 10220869
(2S)-2-amino-6-phenoxyhexane-1-thiol;hydrochloride
CID 87876325
2-[10-(4-aminophenoxy)decoxy]aniline
CID 146356244
1-(4-methylphenyl)-5-phenoxypentan-2-amine
CID 62936792
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-6-phenoxyhexoxy)aniline?
The IUPAC name of 4-(3-amino-6-phenoxyhexoxy)aniline (CID 20534953) is 4-(3-amino-6-phenoxyhexoxy)aniline.
What is the SMILES notation for 4-(3-amino-6-phenoxyhexoxy)aniline?
The canonical SMILES for 4-(3-amino-6-phenoxyhexoxy)aniline is Nc1ccc(OCCC(N)CCCOc2ccccc2)cc1.
What is the InChIKey of 4-(3-amino-6-phenoxyhexoxy)aniline?
The InChIKey is MYUDNFKNUAZOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c19-15(5-4-13-21-17-6-2-1-3-7-17)12-14-22-18-10-8-16(20)9-11-18/h1-3,6-11,15H,4-5,12-14,19-20H2.
What are the key properties of 4-(3-amino-6-phenoxyhexoxy)aniline?
4-(3-amino-6-phenoxyhexoxy)aniline has a molecular weight of 300.40 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-6-phenoxyhexoxy)aniline is sourced from PubChem (CID 20534953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).