2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine

C28H38N4 — CID 171353481

IUPAC2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine
SMILESCc1cc(-c2cc(CCN)ccc2CCN)c(C)cc1-c1cc(CCN)ccc1CCN
InChIInChI=1S/C28H38N4/c1-19-15-26(28-18-22(8-12-30)4-6-24(28)10-14-32)20(2)16-25(19)27-17-21(7-11-29)3-5-23(27)9-13-31/h3-6,15-18H,7-14,29-32H2,1-2H3
InChIKeyOXMIREYAYVZXBU-UHFFFAOYSA-N
MW430.64 g/mol
LogP3.64
Rot. Bonds10

About 2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine

2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine (PubChem CID 171353481) has the molecular formula C28H38N4 and a molecular weight of 430.64 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine
PubChem CID171353481
Molecular FormulaC28H38N4
Molecular Weight430.64 g/mol
Exact Mass430.31
IUPAC Name2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine
SMILESCc1cc(-c2cc(CCN)ccc2CCN)c(C)cc1-c1cc(CCN)ccc1CCN
InChIInChI=1S/C28H38N4/c1-19-15-26(28-18-22(8-12-30)4-6-24(28)10-14-32)20(2)16-25(19)27-17-21(7-11-29)3-5-23(27)9-13-31/h3-6,15-18H,7-14,29-32H2,1-2H3
InChIKeyOXMIREYAYVZXBU-UHFFFAOYSA-N
XLogP3.64
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine?
The IUPAC name of 2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine (CID 171353481) is 2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine is Cc1cc(-c2cc(CCN)ccc2CCN)c(C)cc1-c1cc(CCN)ccc1CCN.
What is the InChIKey of 2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine?
The InChIKey is OXMIREYAYVZXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4/c1-19-15-26(28-18-22(8-12-30)4-6-24(28)10-14-32)20(2)16-25(19)27-17-21(7-11-29)3-5-23(27)9-13-31/h3-6,15-18H,7-14,29-32H2,1-2H3.
What are the key properties of 2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine?
2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine has a molecular weight of 430.64 g/mol, XLogP of 3.64, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-3-[4-[2,5-bis(2-aminoethyl)phenyl]-2,5-dimethylphenyl]phenyl]ethanamine is sourced from PubChem (CID 171353481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).