2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine

C23H34N2O2 — CID 138454042

IUPAC2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCCCCCCCOc2ccc(CCN)cc2)cc1
InChIInChI=1S/C23H34N2O2/c24-16-14-20-6-10-22(11-7-20)26-18-4-2-1-3-5-19-27-23-12-8-21(9-13-23)15-17-25/h6-13H,1-5,14-19,24-25H2
InChIKeyLVKDLVNJILGHAG-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.10
Rot. Bonds14

About 2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine

2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine (PubChem CID 138454042) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
PubChem CID138454042
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCCCCCCCOc2ccc(CCN)cc2)cc1
InChIInChI=1S/C23H34N2O2/c24-16-14-20-6-10-22(11-7-20)26-18-4-2-1-3-5-19-27-23-12-8-21(9-13-23)15-17-25/h6-13H,1-5,14-19,24-25H2
InChIKeyLVKDLVNJILGHAG-UHFFFAOYSA-N
XLogP4.10
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603
5-[4-(2-aminoethyl)phenoxy]pentanamide
CID 114281504
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
CID 61229719
3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453
4-(4-heptylphenoxy)butan-1-amine
CID 164576429
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
2-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 63190771
4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980
3-[4-(3-fluoropropoxy)phenyl]propan-1-amine
CID 53434413

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine (CID 138454042) is 2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine is NCCc1ccc(OCCCCCCCOc2ccc(CCN)cc2)cc1.
What is the InChIKey of 2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine?
The InChIKey is LVKDLVNJILGHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c24-16-14-20-6-10-22(11-7-20)26-18-4-2-1-3-5-19-27-23-12-8-21(9-13-23)15-17-25/h6-13H,1-5,14-19,24-25H2.
What are the key properties of 2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine?
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine has a molecular weight of 370.54 g/mol, XLogP of 4.10, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine is sourced from PubChem (CID 138454042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).